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Journal articles on the topic 'Electronic Properties - Exotic Transition Metal Oxides'

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Author: Grafiati

Published: 7 September 2023

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1

Hattori, Azusa N., Ai I. Osaka, Ken Hattori, Yasuhisa Naitoh, Hisashi Shima, Hiroyuki Akinaga, and Hidekazu Tanaka. "Investigation of Statistical Metal-Insulator Transition Properties of Electronic Domains in Spatially Confined VO2 Nanostructure." Crystals 10, no. 8 (July 22, 2020): 631. http://dx.doi.org/10.3390/cryst10080631.

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Functional oxides with strongly correlated electron systems, such as vanadium dioxide, manganite, and so on, show a metal-insulator transition and an insulator-metal transition (MIT and IMT) with a change in conductivity of several orders of magnitude. Since the discovery of phase separation during transition processes, many researchers have been trying to capture a nanoscale electronic domain and investigate its exotic properties. To understand the exotic properties of the nanoscale electronic domain, we studied the MIT and IMT properties for the VO2 electronic domains confined into a 20 nm length scale. The confined domains in VO2 exhibited an intrinsic first-order MIT and IMT with an unusually steep single-step change in the temperature dependent resistivity (R-T) curve. The investigation of the temperature-sweep-rate dependent MIT and IMT properties revealed the statistical transition behavior among the domains. These results are the first demonstration approaching the transition dynamics: the competition between the phase-transition kinetics and experimental temperature-sweep-rate in a nano scale. We proposed a statistical transition model to describe the correlation between the domain behavior and the observable R-T curve, which connect the progression of the MIT and IMT from the macroscopic to microscopic viewpoints.

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2

ALONSO, J. A., M. J. MARTÍNEZ-LOPE, C. DE LA CALLE, J. SÁNCHEZ-BENÍTEZ, M. RETUERTO, A. AGUADERO, and M. T. FERNANDEZ-DÍAZ. "HIGH-PRESSURE SYNTHESIS AND CHARACTERIZATION OF NEW METASTABLE OXIDES." Functional Materials Letters 04, no. 04 (December 2011): 333–36. http://dx.doi.org/10.1142/s1793604711002123.

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Many transition-metal oxides in elevated valence states [e.g. Mn(V), Co(IV), Ni(III), Cu(III) ] present a metastable character and, given the difficulty of their synthesis, have been relatively little studied. However, they are very interesting materials presenting strong electronic correlations that are bound to exotic properties such as superconductivity, metal behavior, metal–insulator transitions or colossal magnetoresistance. The metastability of these compounds requires special synthesis conditions such as the application of high pressure. In the last years, we have prepared and investigated a good number of materials belonging to several families such as RNiO3 (R = rare earths), Ba3Mn2O8 , (Ba,Sr)CoO3 , La2(Ni,Co)O4+δ , etc. In the study and correct characterization of these oxides it has been decisive the use of elastic neutron diffraction, most of the times in powder samples. This technique has allowed us to access the structural details typically related to the octahedral tilting in perovskite structures, the oxygen stoichiometry and order–disorder of the oxygen sublattice, the distinction between close elements in the Periodic Table, the resolution of magnetic structures and, in general, the establishment of a correlation between the structure and the properties of interest. This letter is organized around the binomial "high-pressure synthesis" and "characterization by neutron diffraction" and illustrated with some selected examples among the metastable materials above mentioned.

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3

Merckling, Clement, Islam Ahmed, Tsang Hsuan Tsang, Moloud Kaviani, Jan Genoe, and Stefan De Gendt. "(Invited) Integrated Perovskites Oxides on Silicon: From Optical to Quantum Applications." ECS Meeting Abstracts MA2022-01, no. 19 (July 7, 2022): 1060. http://dx.doi.org/10.1149/ma2022-01191060mtgabs.

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With the slowing down of Moore’s law, related to conventional scaling of integrated circuits, alternative technologies will require research effort for pushing the limits of new generations of electronic or photonic devices. Perovskite oxides with the ABO3 chemical formula have a very wide range of interesting intrinsic properties such as metal-insulator transition, ferroelectricity, pyroelectricity, piezoelectricity, ferromagnetic and superconductivity. For the integration of such oxides, it is of great interest to combine their properties with traditional electronic, memory and optical devices on the same silicon-based platform. In the context of high-speed chip-to-chip optical interconnects, compact high-resolution beam steering and video-rate RGB hologram generation require the integration of fast and efficient optical modulators on top of silicon CMOS devices. For these applications the integration of high quality electro-optical materials A defect-free material-stack deposition on silicon wafers is hence required. Among the possible materials options, barium titanate (BaTiO3) is one promising candidate due to its large intrinsic Pockels coefficients that can be obtained. In a first part of the talk, we will review the different options to integrate BaTiO3 on Silicon substrate though different templates to control the polarization direction and discuss the influence on the physical, electrical and optical properties. Then in the second section we will discuss the use of perovskites oxide in the field of topological based qubits which is one of the promising methods for realizing fault-tolerant computations. It is recognized that superconductor/topological insulator heterostructure interfaces may be a perfect host for the exotic “Majorana” particles. These have relevant topological protection nature as required for processing information. Therefore, the physics at the superconductor/topological insulator heterostructure interface need to be studied further, starting at the material level. In this work, a candidate material Barium Bismuthate (BBO) is studied utilizing the Oxide Molecular Beam Epitaxy (MBE) process. The perovskite structure provides opportunity for easily tailored functionality through substitutional doping. Incorporation of potassium into the lattice of BBO results in a superconducting phase with Curie temperature as high as ~ 30K. In addition, BBO is according to DFT based studies, predicted to form topological surface states when doped with Fluorine. In our work, we integrate BBO perovskite on Si(001) substrate, using an epitaxially grown strontium titanate (STO) single-crystalline buffer layer and discuss the structural and chemical properties of the heterostructure will be established by utilizing physical characterization techniques such as AFM, and TEM in later stages. This will go hand in hand with the understanding of the ARPES studies and related surface reconstruction of BBO observed by RHEED as a criterion for the high-quality films. This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreements No 864483 and 742299)”.

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4

Rodenbücher, Christian, and Kristof Szot. "Electronic Phenomena of Transition Metal Oxides." Crystals 11, no. 3 (March 5, 2021): 256. http://dx.doi.org/10.3390/cryst11030256.

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Transition metal oxides with ABO3 or BO2 structures have become one of the major research fields in solid state science, as they exhibit an impressive variety of unusual and exotic phenomena with potential for their exploitation in real-world applications [...]

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5

Ansari, Lida, Paul Hurley, and Farzan Gity. "Two-Dimensional Gallium Selenide (GaSe) Material for Nanoelectronics Application." ECS Meeting Abstracts MA2022-01, no. 12 (July 7, 2022): 868. http://dx.doi.org/10.1149/ma2022-0112868mtgabs.

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As silicon-based transistors have approached their physical limits, it is urgent to explore alternative materials with a suitable bandgap and high mobility for next generation electronic logic devices. Two‐dimensional (2D) materials have attracted significant attention in the last few years due to their potential exotic transport physics and technological applications in various fields, such as a significant device downscaling for high intensity integration. Recently, a variety of 2D materials have been explored, including graphene [1] and transition metal dichalcogenides (TMDs), e.g., MoS2 [2,3], WS2 [4], and PtSe2 [5-7]. Although most research has focused on TMDs, recently 2D layered metal monochalcogenides, e.g., GaSe, have attracted increasing interest as a result of their unique electronic properties, making this class of materials different from TMDs. GaSe crystal structure comprises vertically stacked Ga-Se-Se-Ga layers with relatively weak van der Waals interactions. There are two main GaSe polytypes which differ in the stacking sequence of the basis layer units. Side- and top-view schematics of β‐GaSe and ε‐GaSe are shown in Fig. 1a. In this study, the electronic structure of both GaSe layered material polytypes is investigated using density functional theory (DFT) as implemented in QuantumATK [8]. Brillouin-zone integrations were performed according to the Monkhorst-Pack scheme [9] with a density of approximately 10 k-points per angstrom. Geometry optimizations were performed with the convergence criterion of 0.02 eV/Å [10]. Van der Waals (vdW) interactions improve the structural and electronic properties description obtained by DFT calculations and is included in our calculations through D3 version of Grimme’s dispersion corrections [11]. To provide an improved determination of the bandgap energies, the GW (G: Green's function and W: screened Coulomb interaction) method in conjunction with a many body perturbation theory (MBPT) correction could be used. However, GW technique is computationally very expensive and could be implemented for systems with very limited number of atoms [12,13]. Hence, for this study, methods such as Heyd-Scuseria-Ernzerhof (HSE) hybrid functional [14,15] and GGA-1/2 [16] methods were included in our model to achieve more accurate bandgap compared to the experimental values. The β‐GaSe exhibits a DFT-obtained direct bandgap of ~1 eV while the corrected value is 2 eV. ε‐GaSe, however, shows slight indirect bandgap of 0.8 eV (DFT) and 1.7 eV (corrected), with just 25 meV difference between the indirect gap and indirect gap. A double-gate Schottky barrier field-effect transistor (FET) consisting of Ti source and drain contacts and ultrathin GaSe channel is also investigated. Schematic of the FET is shown in Fig. 1b. The device performance analysis such as current-voltage characteristics, subthreshold slope, and on/off ratio are carried out by means of non-equilibrium Green’s function together with DFT Hamiltonian [17]. The output characteristic of the proposed device exhibits an ON/OFF current ratio of more than 7 orders of magnitude. The presence of point defects in ultrathin 2D films is largely inevitable [18], even under optimized synthesis conditions, which can be either engineered and considered as a useful feature, or undesirable. In either case, understanding the impacts of point defects on the electronic structure of 2D materials are required to allow application-based optimization. In this talk, to provide insight into the defect-induced modifications to the GaSe electronic properties, in particular the properties of the states associated with the defects, we will compare the band-structure of the pristine GaSe with the band-structure of the GaSe with Ge and Se vacancies, for both GaSe polytypes. We have also fabricated back-gated devices by mechanically exfoliating ultrathin GaSe flakes from bulk crystal onto oxide-on-Si substrate. Fig. 1c shows an SEM image of the device. Our experimental results demonstrate the basic transport characteristics of thin-film transistor, which may offer more opportunities for potential applications such as photodetectors, gas sensors, and optoelectronic devices, in addition to nanoelectronics FETs, due to GaSe large bandgap. References: [1] Nature Materials, 6, 183, 2007. [2] 2D Materials, 8, 025008, 2020. [3] 2D Materials, 7, 025040, 2020. [4] ACS Materials Letters, 2, 511, 2020. [5] ACS Omega, 4, pp. 17487-17493, 2019. [6] Advanced Functional Materials, 2103936, 2021. [7] Advanced Functional Materials, 2105722, 2021. [8] J. Phys.: Condens. Matter, 32 015901, 2020 [9] Phys. Rev. B, 13, 5188, 1976. [10] J. Applied Physics, 129, 015701, 2021. [11] J. Chem. Phys., 132, 154104, 2010. [12] J. Phys.: Condens. Matter, 29 065301, 2017. [13] Appl. Phys. Lett., 110, 093111, 2017. [14] J. Chem. Phys. 118, 8207, 2003. [15] Applied Materials Today, 25, 101163, 2021. [16] AIP Advances, 1, 032119, 2011. [17] J. Phys.: Condens. Matter., 30, 414003, 2018. [18] Npj 2D Materials and Applications, 5, 14, 2021. . Figure 1

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6

Ulstrup, Søren, Jyoti Katoch, Roland J. Koch, Daniel Schwarz, Simranjeet Singh, Kathleen M. McCreary, Hyang Keun Yoo, et al. "Spatially Resolved Electronic Properties of Single-Layer WS2 on Transition Metal Oxides." ACS Nano 10, no. 11 (October 26, 2016): 10058–67. http://dx.doi.org/10.1021/acsnano.6b04914.

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7

Du, Yongping, and Xiangang Wan. "The novel electronic and magnetic properties in 5d transition metal oxides system." Computational Materials Science 112 (February 2016): 416–27. http://dx.doi.org/10.1016/j.commatsci.2015.09.036.

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8

Wang, Hongxia, Kelvin H. L. Zhang, Jan P. Hofmann, Victor A. de la Peña O'Shea, and Freddy E. Oropeza. "The electronic structure of transition metal oxides for oxygen evolution reaction." Journal of Materials Chemistry A 9, no. 35 (2021): 19465–88. http://dx.doi.org/10.1039/d1ta03732c.

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In this review article, we summarise the key electronic features of transition metal oxides that govern their OER catalytic properties, and how such electronic descriptors are applied for OER electrocatalysts design.

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9

Chan, Henry, Kiran Sasikumar, Srilok Srinivasan, Mathew Cherukara, Badri Narayanan, and Subramanian K. R. S. Sankaranarayanan. "Machine learning a bond order potential model to study thermal transport in WSe2 nanostructures." Nanoscale 11, no. 21 (2019): 10381–92. http://dx.doi.org/10.1039/c9nr02873k.

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Nanostructures of transition metal di-chalcogenides (TMDCs) exhibit exotic thermal, chemical and electronic properties, enabling diverse applications from thermoelectrics and catalysis to nanoelectronics.

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10

EVARESTOV, R. A., A. KALINKO, A. KUZMIN, M. LOSEV, and J. PURANS. "FIRST-PRINCIPLES LCAO CALCULATIONS ON 5D TRANSITION METAL OXIDES: ELECTRONIC AND PHONON PROPERTIES." Integrated Ferroelectrics 108, no. 1 (October 22, 2009): 1–10. http://dx.doi.org/10.1080/10584580903323990.

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11

Wakabayashi, Yusuke. "Near-surface structural study of transition metal oxides to understand their electronic properties." Journal of Physics: Condensed Matter 23, no. 48 (October 28, 2011): 483001. http://dx.doi.org/10.1088/0953-8984/23/48/483001.

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12

Maignan, A., W. Kobayashi, S. Hébert, G. Martinet, D. Pelloquin, N. Bellido, and Ch Simon. "Transition-Metal Oxides with Triangular Lattices: Generation of New Magnetic and Electronic Properties." Inorganic Chemistry 47, no. 19 (October 6, 2008): 8553–61. http://dx.doi.org/10.1021/ic8006926.

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13

Khomskii, D. "Charge and orbital ordering in transition metal oxides." Journal de Physique IV 12, no. 9 (November 2002): 257. http://dx.doi.org/10.1051/jp4:20020408.

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Transition metal oxides with strongly correlated d-electrons show an astonishing variety of properties. This is largely determined by an interplay of different degrees of freedom: charge, spin, orbital, lattice ones. Often there appear in them various superstructures. In this talk I will consider different types of superstructures in transition metal oxides, especially charge and orbital ordering, willdiscuss the main mechanisms leading to their formation and consider specific examples of superstructures in manganites, cobaltites and in some frustrated systems. Relative role of purely electronic mechanisms and of the electron-phonon interaction will be discussed. In particular, I will show that the elastic interactions can naturally lead to different superstructures, including stripes. Special features of charge and, especially, orbital ordering in frustrated systems, where frustrations may be caused both by the geometric structure of the lattice and by the special features of orbital interactions, will be considered, and it will be shown that the order-from-disorder mechanism can lead to a unique ordered ground state in many of these cases..

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14

Kan, Er Jun. "Electronic Structures in LaTiO₃/LaAlO₃ Multilayers." Advanced Materials Research 771 (September 2013): 7–11. http://dx.doi.org/10.4028/www.scientific.net/amr.771.7.

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We demonstrate the existence of a hidden degree of freedom controlling the orbitalordering in [LaTiO1/[LaAlO5 multilayers with comprehensive density-functional theorycalculations. The orbitals of two-dimensional (2D) 3d1state of Ti atoms in the multilayers alwayscontain large dxy components, which is unexpected from crystal field theory (first Jahn-Tellerdistortion). The competition between first and second Jahn-Teller distortion induces variousmagnetic properties. Thus, transition-metal oxides/non-transition-metal oxides multilayers mayprovide an important direction to manipulate the spin and orbital ordering in magnetic materials.

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15

Bergo, P., W. M. Pontuschka, J. M. Prison, C.C. Motta, and J. R. Martinelli. "Dielectric properties of barium phosphate glasses doped with transition metal oxides." Journal of Non-Crystalline Solids 348 (November 2004): 84–89. http://dx.doi.org/10.1016/j.jnoncrysol.2004.08.130.

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16

Niu, Xu, Bin-Bin Chen, Ni Zhong, Ping-Hua Xiang, and Chun-Gang Duan. "Topological Hall effect in SrRuO₃ thin films and heterostructures." Journal of Physics: Condensed Matter 34, no. 24 (April 14, 2022): 244001. http://dx.doi.org/10.1088/1361-648x/ac60d0.

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Abstract Transition metal oxides hold a wide spectrum of fascinating properties endowed by the strong electron correlations. In 4d and 5d oxides, exotic phases can be realized with the involvement of strong spin–orbit coupling (SOC), such as unconventional magnetism and topological superconductivity. Recently, topological Hall effects (THEs) and magnetic skyrmions have been uncovered in SrRuO3 thin films and heterostructures, where the presence of SOC and inversion symmetry breaking at the interface are believed to play a key role. Realization of magnetic skyrmions in oxides not only offers a platform to study topological physics with correlated electrons, but also opens up new possibilities for magnetic oxides using in the low-power spintronic devices. In this review, we discuss recent observations of THE and skyrmions in the SRO film interfaced with various materials, with a focus on the electric tuning of THE. We conclude with a discussion on the directions of future research in this field.

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17

Merkle, Rotraut, Maximilian F. Hoedl, Giulia Raimondi, Reihaneh Zohourian, and Joachim Maier. "Oxides with Mixed Protonic and Electronic Conductivity." Annual Review of Materials Research 51, no. 1 (July 26, 2021): 461–93. http://dx.doi.org/10.1146/annurev-matsci-091819-010219.

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Oxides with mixed protonic and p-type electronic conductivity (and typically containing also mobile oxygen vacancies) are important functional materials, e.g., for oxygen electrodes in protonic ceramic electrochemical cells or for permeation membranes. Owing to the presence of three carriers, their defect chemical behavior is complex. Deviations from ideal behavior (defect interactions) have to be taken into account, which are related to the partially covalent character of the transition metal–oxygen bonds. Compared to acceptor-doped Ba(Zr,Ce)O3− z electrolytes, perovskites with redox-active transition-metal cations typically show smaller degrees of hydration. Trends in the proton uptake of (Ba,Sr,La)(Fe,Co,Y,Zn)O3−δ perovskites are analyzed and correlated to structural features (local lattice distortions) and electronic properties (the position of oxygen states on an absolute energy scale). The proton mobility in such mixed-conducting perovskites is estimated. Specific aspects of the application of protonic and electronic mixed-conducting oxides in protonic ceramic electrochemical cells are discussed, and an overview of recent materials and device developments is given.

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18

Chudnovskii, F. A., A. L. Pergament, D. A. Schaefer, and G. B. Stefanovich. "Effect of Laser Irradiation on the Properties of Transition Metal Oxides." Journal of Solid State Chemistry 118, no. 2 (September 1995): 417–18. http://dx.doi.org/10.1006/jssc.1995.1363.

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19

Yin, Zongyou, Moshe Tordjman, Youngtack Lee, Alon Vardi, Rafi Kalish, and Jesús A. del Alamo. "Enhanced transport in transistor by tuning transition-metal oxide electronic states interfaced with diamond." Science Advances 4, no. 9 (September 2018): eaau0480. http://dx.doi.org/10.1126/sciadv.aau0480.

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High electron affinity transition-metal oxides (TMOs) have gained a central role in two-dimensional (2D) electronics by enabling unprecedented surface charge doping efficiency in numerous exotic 2D solid-state semiconductors. Among them, diamond-based 2D electronics are entering a new era by using TMOs as surface acceptors instead of previous molecular-like unstable acceptors. Similarly, surface-doped diamond with TMOs has recently yielded record sheet hole concentrations (2 × 1014 cm−2) and launched the quest for its implementation in microelectronic devices. Regrettably, field-effect transistor operation based on this surface doping has been so far disappointing due to fundamental material obstacles such as (i) carrier scattering induced by nonhomogeneous morphology of TMO surface acceptor layer, (ii) stoichiometry changes caused by typical transistor fabrication process, and (iii) carrier transport loss due to electronic band energy misalignment. This work proposes and demonstrates a general strategy that synergistically surmounts these three barriers by developing an atomic layer deposition of a hydrogenated MoO3 layer as a novel efficient surface charge acceptor for transistors. It shows high surface uniformity, enhanced immunity to harsh fabrication conditions, and benefits from tunable electronic gap states for improving carrier transfer at interfaces. These breakthroughs permit crucial integration of TMO surface doping into transistor fabrication flows and allow outperforming electronic devices to be reached.

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20

Mitin, A. V. "Manifestations of quasi-one-dimensional correlations in the electronic properties of transition-metal oxides." Bulletin of the Russian Academy of Sciences: Physics 72, no. 10 (October 2008): 1339–42. http://dx.doi.org/10.3103/s1062873808100092.

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21

Khan, M. N., M. A. Hassan, and C. A. Hogarth. "The electronic and optical properties of germanium tellurite glasses containing various transition metal oxides." Physica Status Solidi (a) 106, no. 1 (March 16, 1988): 191–200. http://dx.doi.org/10.1002/pssa.2211060123.

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22

OOMI, G., S. KAJI, Y. TOMIOKA, and Y. TOKURA. "HIGH PRESSURE STUDY OF NOVEL ELECTRONIC PROPERTIES IN Sr2Fe(W1-xMox)O6 NEAR METAL-INSULATOR TRANSITION." International Journal of Modern Physics B 21, no. 18n19 (July 30, 2007): 3279–84. http://dx.doi.org/10.1142/s0217979207044378.

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Electrical resistivities of double perovskite oxides Sr 2 Fe ( W 1-x Mo x) O 6 have been measured at high pressure and high magnetic field to elucidate the transport properties of these materials. It is found that the main mechanism of the transport in the semiconducting phase is variable range hopping conduction and the insulating properties are suppressed by high pressure to show a crossover to metallic state. The magnetoresistances of these oxides are revealed to decrease at high pressure above 1 GPa. Extremely large Grüneisen parameters are found near x = 0.2, where the metal-insulator transition occurs. The origin for these properties will be briefly discussed in connection with the phase diagram.

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23

Tsuchiya, Toshio, Mitsuya Otonari, and Takashi Ariyama. "Internal friction and electrical properties in phosphate glasses containing transition metal oxides." Journal of Non-Crystalline Solids 95-96 (December 1987): 1001–8. http://dx.doi.org/10.1016/s0022-3093(87)80709-3.

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24

Zheng, Ming, Pengfei Guan, Yaping Qi, and Litong Guo. "Straintronic effect on electronic transport and metal–insulator transition in correlated metal films by electric field." Applied Physics Letters 120, no. 16 (April 18, 2022): 161603. http://dx.doi.org/10.1063/5.0082879.

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Tuning the electronic and magnetic properties of strongly correlated oxides by exerting an electric field is of great significance for understanding the mechanisms of striking quantum phenomena and delivering low-dissipation electronic devices. Here, we demonstrate a linear suppression of electrical resistivity for correlated metallic SrVO3 epitaxial films in a continuous and reversible fashion through the converse piezoelectric response-generated linear lateral compressive strain of ferroelectric Pb(Mg1/3Nb2/3)O3-PbTiO3 substrates. By precisely tailoring the polarization domain configuration of the substrate, a lateral tensile strain can also be dynamically induced into films and, thus, can robustly increase the resistivity due to reduced effective electronic bandwidth and enhanced electron–electron interaction. Particularly, the electrically triggered nonvolatile opening and closing of a metal–insulator transition is driven by the ferroelastic strain-controlled Mott gap. Our findings illustrate the vital role of an electric field in controlling the lattice degree of freedom and electron correlation and provide a framework for exploring the essential physics of the straintronic effect in correlated metallic oxides.

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Terny, S., and M. A. Frechero. "Understanding how the mixed alkaline-earth effect tunes transition metal oxides-tellurite glasses properties." Physica B: Condensed Matter 583 (April 2020): 412054. http://dx.doi.org/10.1016/j.physb.2020.412054.

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26

Rueff, J.-P., A. Mattila, J. Badro, G. Vankó, and A. Shukla. "Electronic properties of transition-metal oxides under high pressure revealed by x-ray emission spectroscopy." Journal of Physics: Condensed Matter 17, no. 11 (March 5, 2005): S717—S726. http://dx.doi.org/10.1088/0953-8984/17/11/001.

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Takano, M., R. Kanno, and T. Takeda. "A chemical contribution to the search for novel electronic properties in transition metal oxides: LiNiO2." Materials Science and Engineering: B 63, no. 1-2 (August 1999): 6–10. http://dx.doi.org/10.1016/s0921-5107(99)00044-6.

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Assadi, M. Hussein N., and Yasuteru Shigeta. "The effect of octahedral distortions on the electronic properties and magnetic interactions in O3 NaTMO2 compounds (TM = Ti–Ni & Zr–Pd)." RSC Advances 8, no. 25 (2018): 13842–49. http://dx.doi.org/10.1039/c8ra00576a.

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29

Dong, M. D., J. Y. Shen, C. Y. Hong, P. X. Ran, R. H. He, H. W. Chen, Q. Y. Lu, and J. Wu. "Modulation of the NiO_x bandgap by controlling oxygen stoichiometry." Journal of Applied Physics 132, no. 17 (November 7, 2022): 173901. http://dx.doi.org/10.1063/5.0109659.

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Transition metal oxides are a class of functional materials widely used in optoelectronics, spintronics, and memory technology. The oxygen stoichiometry of these oxides plays a vital role in determining their electronic, optical, and thermal properties. Post-growth annealing in ozone has shown to be effective in modifying these properties. Here, we choose NiO, an antiferromagnetic Mott insulator in perfect stoichiometry, as an example to show that its stoichiometry can be tuned continuously in a broad range by the control of the oxidation power during growth or a post-growth topotactic reduction process. The bandgap of the as-processed NiOx films was modulated in accordance with their resistivity, lattice constant, and Ni chemical valence. This method can be readily applied to other transition metal oxides for the optimization of their properties.

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Bachir Bouiadjra, Oussama, Ghouti Merad, Jean Marc Raulot, Hayet Si Abdelkader, and Claude Esling. "Structural, Electronic and Mechanical Properties of Perovskite Oxides LaMO₃ (M = Mn, Ni) Compounds in the High and Low Symmetric Phases by First Principle Calculation." Materials Science Forum 941 (December 2018): 2300–2305. http://dx.doi.org/10.4028/www.scientific.net/msf.941.2300.

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The widely investigated perovskite oxides has attracted for a long time a great interest on the physical properties, in their bulk structures as well as the heterostructures components. The Lanthanum transition metal oxides LaMO3(M= Transition metal) is part of, due to their potential use in advanced technology (including superconductivity, magnetoresistance, ionic conductivity, and a multitude of dielectric properties). Despite the broad exploration of the physical properties, we found a considerable lack in the investigation of the mechanical properties of the LaMO3compounds. By applying the Density Functional Theory (DFT), we shed light on the structural, electronic, and especially mechanical properties of the experimentally verified phases of The LaMnO3, and LaNiO3. We first calculated the structural and electronic properties, then we continue with the single-crystal elastic constants and mechanical properties, where the bulk, shear and Young’s moduli, and the Anisotropy indexes were deduced, in order to remedy the existing gap of the theoretical knowledge about the mechanical behavior of the LaMnO3, and LaNiO3compounds.

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Chiromawa, Idris Muhammad, Amiruddin Shaari, Razif Razali, Summanuwa Timothy Ahams, and Mikailu Abdullahi. "Ab initio Investigation of the Structure and Electronic Properties of Normal Spinel Fe2SiO4." Malaysian Journal of Fundamental and Applied Sciences 17, no. 2 (April 29, 2021): 195–201. http://dx.doi.org/10.11113/mjfas.v17n2.2018.

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Transition metal spinel oxides have recently been predicted to create efficient transparent conducting oxides for optoelectronic devices. These compounds can be easily tuned by doping or defect to adapt their electronic or magnetic properties. However, their cation distribution is very complex and band structures are still subject to controversy. We propose a complete density functional theory investigation of fayalite (Fe2SiO4) spinel, using Generalized Gradient Approximation (GGA) and Local Density Approximation (LDA) in order to explain the electronic and structural properties of this material. A detailed study of their crystal structure and electronic structure is given and compared with experimental data. The lattice parameters calculated are in agreement with the lattice obtained experimentally. The band structure of Fe2SiO4 spinel without Coulomb parameter U shows that the bands close to Fermi energy appear to be a band metal, with four iron d-bands crossing the Fermi level, in spite of the fact that from the experiment it is found to be an insulator.

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32

Piyanzina, I. I., Yu V. Lysogorskiy, D. A. Tayurskii, and R. F. Mamin. "Electronic Properties of a Two-Dimensional Electron Gas at the Interface between Transition Metal Complex Oxides." Bulletin of the Russian Academy of Sciences: Physics 82, no. 3 (March 2018): 234–37. http://dx.doi.org/10.3103/s1062873818030188.

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Pandey, Sumeet C., Xu Xu, Izaak Williamson, Eric B. Nelson, and Lan Li. "Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA + U, and hybrid approaches." Chemical Physics Letters 669 (February 2017): 1–8. http://dx.doi.org/10.1016/j.cplett.2016.12.005.

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Oh, Sunyoung, You Kyung Kim, Chan Ho Jung, Won Hui Doh, and Jeong Young Park. "Effect of the metal–support interaction on the activity and selectivity of methanol oxidation over Au supported on mesoporous oxides." Chemical Communications 54, no. 59 (2018): 8174–77. http://dx.doi.org/10.1039/c8cc04295k.

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To elucidate the factors affecting the catalytic properties of supported Au catalysts on the metal oxide support we investigated Au NPs deposited on crystallized mesoporous transition-metal oxides (m-oxides: Co₃O₄, NiO, and α-Fe₂O₃) prepared using the nanocasting method.

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Yao, Yu, Dandan Sang, Liangrui Zou, Qinglin Wang, and Cailong Liu. "A Review on the Properties and Applications of WO3 Nanostructure−Based Optical and Electronic Devices." Nanomaterials 11, no. 8 (August 22, 2021): 2136. http://dx.doi.org/10.3390/nano11082136.

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Tungsten oxide (WO3) is a wide band gap semiconductor with unintentionally n−doping performance, excellent conductivity, and high electron hall mobility, which is considered as a candidate material for application in optoelectronics. Several reviews on WO3 and its derivatives for various applications dealing with electrochemical, photoelectrochemical, hybrid photocatalysts, electrochemical energy storage, and gas sensors have appeared recently. Moreover, the nanostructured transition metal oxides have attracted considerable attention in the past decade because of their unique chemical, photochromic, and physical properties leading to numerous other potential applications. Owing to their distinctive photoluminescence (PL), electrochromic and electrical properties, WO3 nanostructure−based optical and electronic devices application have attracted a wide range of research interests. This review mainly focuses on the up−to−date progress in different advanced strategies from fundamental analysis to improve WO3 optoelectric, electrochromic, and photochromic properties in the development of tungsten oxide−based advanced devices for optical and electronic applications including photodetectors, light−emitting diodes (LED), PL properties, electrical properties, and optical information storage. This review on the prior findings of WO3−related optical and electrical devices, as well as concluding remarks and forecasts will help researchers to advance the field of optoelectric applications of nanostructured transition metal oxides.

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Zhang, Kai, Kai Du, Hao Liu, X. G. Zhang, Fanli Lan, Hanxuan Lin, Wengang Wei, et al. "Manipulating electronic phase separation in strongly correlated oxides with an ordered array of antidots." Proceedings of the National Academy of Sciences 112, no. 31 (July 20, 2015): 9558–62. http://dx.doi.org/10.1073/pnas.1512326112.

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The interesting transport and magnetic properties in manganites depend sensitively on the nucleation and growth of electronic phase-separated domains. By fabricating antidot arrays in La0.325Pr0.3Ca0.375MnO3 (LPCMO) epitaxial thin films, we create ordered arrays of micrometer-sized ferromagnetic metallic (FMM) rings in the LPCMO films that lead to dramatically increased metal–insulator transition temperatures and reduced resistances. The FMM rings emerge from the edges of the antidots where the lattice symmetry is broken. Based on our Monte Carlo simulation, these FMM rings assist the nucleation and growth of FMM phase domains increasing the metal–insulator transition with decreasing temperature or increasing magnetic field. This study points to a way in which electronic phase separation in manganites can be artificially controlled without changing chemical composition or applying external field.

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Ulpe, Anna C., Katharina C. L. Bauerfeind, and Thomas Bredow. "Influence of Spin State and Cation Distribution on Stability and Electronic Properties of Ternary Transition-Metal Oxides." ACS Omega 4, no. 2 (February 25, 2019): 4138–46. http://dx.doi.org/10.1021/acsomega.8b03254.

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38

Demazeau, Gerard. "Stabilization of high transition metal valencies and correlations with electronic properties of oxides with the perovskite structure." Phase Transitions 58, no. 1-3 (August 15, 1996): 43–56. http://dx.doi.org/10.1080/01411599608242393.

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Gaggero, Elisa, Paola Calza, Erik Cerrato, and Maria Cristina Paganini. "Cerium-, Europium- and Erbium-Modified ZnO and ZrO2 for Photocatalytic Water Treatment Applications: A Review." Catalysts 11, no. 12 (December 14, 2021): 1520. http://dx.doi.org/10.3390/catal11121520.

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In the last decades photocatalysis has become one of the most employed technologies for the implementation of the so-called Advanced Oxidation Processes (AOPs) for the removal of harmful pollutants from wastewaters. The materials identified as the best photocatalysts are transition metal oxides, in which the band structure allows charge carrier separation upon solar irradiation. The photoinduced charge carrier can thus cause oxidative and reductive redox reactions at the surface, inducing the formation of the radical species able to initiate the AOPs. Despite the great advantages of this process (non-toxic, cheap and environmentally clean), the main drawback lies in the fact that the most efficient semiconductors are only able to absorb UV irradiation, which accounts for only 5% of the total solar irradiation at the Earth’s surface and not enough to generate the required amount of electron-hole pairs. On the other hand, many efforts have been devoted to the sensitization of wide band gap transition metal oxides to visible light, which represents a higher percentage (almost 45%) in the solar electromagnetic spectrum. Among all the strategies to sensitize transition metal oxides to visible irradiation, doping with lanthanides has been less explored. In this regard, lanthanides offer a unique electronic configuration, consisting in 4f orbitals shielded by a 5s5p external shell. This occurrence, coupled with the different occupation of the localized 4f orbitals would provide an astounding opportunity to tune these materials’ properties. In this review we will focus in depth on the modification of two promising photocatalytic transition metal oxides, namely ZnO and ZrO2, with cerium, europium and erbium atoms. The aim of the work is to provide a comprehensive overview of the influence of lanthanides on the structural, optical and electronic properties of the modified materials, emphasizing the effect of the different 4f orbital occupation in the three considered doping atoms. Moreover, a large portion of the discussion will be devoted to the structural-properties relationships evidencing the improved light absorption working mechanism of each system and the resulting enhanced photocatalytic performance in the abatement of contaminants in aqueous environments.

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Wang, Zhikai, Xiangtao Lin, Taoyong Liu, Lidan Liu, Xingxing Jiang, Yanjun Yu, Tianxiang Ning, Anxian Lu, and Yong Jiang. "Thermal, chemical properties and structure evolution of medical neutral glasses modified by transition metal oxides." Journal of Non-Crystalline Solids 595 (November 2022): 121835. http://dx.doi.org/10.1016/j.jnoncrysol.2022.121835.

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41

Huang, Lujun, Alex Krasnok, Andrea Alú, Yiling Yu, Dragomir Neshev, and Andrey E. Miroshnichenko. "Enhanced light–matter interaction in two-dimensional transition metal dichalcogenides." Reports on Progress in Physics 85, no. 4 (March 8, 2022): 046401. http://dx.doi.org/10.1088/1361-6633/ac45f9.

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Abstract Two-dimensional (2D) transition metal dichalcogenide (TMDC) materials, such as MoS2, WS2, MoSe2, and WSe2, have received extensive attention in the past decade due to their extraordinary electronic, optical and thermal properties. They evolve from indirect bandgap semiconductors to direct bandgap semiconductors while their layer number is reduced from a few layers to a monolayer limit. Consequently, there is strong photoluminescence in a monolayer (1L) TMDC due to the large quantum yield. Moreover, such monolayer semiconductors have two other exciting properties: large binding energy of excitons and valley polarization. These properties make them become ideal materials for various electronic, photonic and optoelectronic devices. However, their performance is limited by the relatively weak light–matter interactions due to their atomically thin form factor. Resonant nanophotonic structures provide a viable way to address this issue and enhance light–matter interactions in 2D TMDCs. Here, we provide an overview of this research area, showcasing relevant applications, including exotic light emission, absorption and scattering features. We start by overviewing the concept of excitons in 1L-TMDC and the fundamental theory of cavity-enhanced emission, followed by a discussion on the recent progress of enhanced light emission, strong coupling and valleytronics. The atomically thin nature of 1L-TMDC enables a broad range of ways to tune its electric and optical properties. Thus, we continue by reviewing advances in TMDC-based tunable photonic devices. Next, we survey the recent progress in enhanced light absorption over narrow and broad bandwidths using 1L or few-layer TMDCs, and their applications for photovoltaics and photodetectors. We also review recent efforts of engineering light scattering, e.g., inducing Fano resonances, wavefront engineering in 1L or few-layer TMDCs by either integrating resonant structures, such as plasmonic/Mie resonant metasurfaces, or directly patterning monolayer/few layers TMDCs. We then overview the intriguing physical properties of different van der Waals heterostructures, and their applications in optoelectronic and photonic devices. Finally, we draw our opinion on potential opportunities and challenges in this rapidly developing field of research.

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Romanenko, A. I., G. E. Chebanova, Tingting Chen, Wenbin Su, and Hongchao Wang. "Review of the thermoelectric properties of layered oxides and chalcogenides." Journal of Physics D: Applied Physics 55, no. 14 (December 3, 2021): 143001. http://dx.doi.org/10.1088/1361-6463/ac3ce6.

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Abstract The current state of investigation on thermoelectric properties of layered chalcogenides and oxides is considered. The relationship between the quasi-two-dimensionality of electronic transport properties and thermoelectric properties is confirmed. A decrease in the dimension of electron transport from three-dimensional to quasi-two-dimensional in materials with a layered structure increases the thermopower with a slight change in electrical conductivity. The bismuth tellurides, bismuth selenides and its alloys are currently one of the outstanding state of the art bulk thermoelectric materials with layered structure. Layered transition metal dichalcogenides MX2 (M is a transition metal, X is a chalcogen) are efficient thermoelectric materials at higher temperatures (500–800 K). In these materials, an increase in thermoelectric properties associated with the two-dimensionalization of electron transport is also observed. Layered monochalcogenides MX (M = Sn, Pb, Ge; X = S, Se, Te) are also a promising class of thermoelectric materials. In SnSe single crystals, Z T ∼ 2.6 is obtained at 923 K due to the very low thermal conductivity along the b axis (0.23 W (m K)−1 at 973 K). Layered chalcogenides CuCrX2 (X = S, Se, Te) containing magnetic Cr atoms are effective thermoelectrics at higher temperatures (up to 800 K) due to the presence of phonon glass–electron crystal state led to a significant decrease in thermal conductivity at high temperatures. Magnetic atoms in CuCrX2 compounds lead to the presence of magnetic phase transitions affecting their thermoelectric properties. Interest in oxide-based thermoelectric materials has significantly increased due to their stability in air and higher temperatures for maximum efficiency. The most promising thermoelectric oxide materials Ca3Co4O9, Na x CoO2, Bi2Ca2Co2O x , and CaCo2O4 have a layered structure and contain magnetic Co atoms leading to magnetic ordering and influence on thermoelectric properties. The presence of phase transitions affects the thermoelectric parameters of thermoelectrics and the thermoelectric figure of merit ZT.

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Becker, K. D. "Spectroscopicin situstudies of defect-dependent properties of transition metal oxides Defects, diffusion, and reaction kinetics." Philosophical Magazine A 68, no. 4 (October 1993): 767–86. http://dx.doi.org/10.1080/01418619308213996.

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44

Salman, S. M., S. N. Salama, and Ebrahim A. Mahdy. "Contribution of some transition metal oxides to crystallization and electro-thermal properties of glass-ceramics." Ceramics International 46, no. 9 (June 2020): 13724–31. http://dx.doi.org/10.1016/j.ceramint.2020.02.160.

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45

Ometto, Felipe B., Emilia A. Carbonio, Érico Teixeira-Neto, and Hebe M. Villullas. "Changes induced by transition metal oxides in Pt nanoparticles unveil the effects of electronic properties on oxygen reduction activity." Journal of Materials Chemistry A 7, no. 5 (2019): 2075–86. http://dx.doi.org/10.1039/c8ta10642h.

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46

Andriotis, Antonis N., and Madhu Menon. "Electronic and magnetic properties of the CuO4- and Co2CuO10-complexes in diluted magnetic semiconductors and transition metal oxides." Materials Research Express 6, no. 8 (May 21, 2019): 086108. http://dx.doi.org/10.1088/2053-1591/ab1620.

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47

Hanzig, Florian, Josef Veselý, Mykhaylo Motylenko, Astrid Leuteritz, Hannes Mähne, Thomas Mikolajick, and David Rafaja. "Composition profiles across MIMs for resistive switching studied by EDS and EELS." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C1456. http://dx.doi.org/10.1107/s205327331408543x.

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Resistive switching in MIM (metal-insulator-metal) stacks is an effect that enables a promising data storage technology which is able to overcome the size limitations of conventional non-volatile memories. The resistive switching effect was already demonstrated for several binary as well as ternary transition metal oxides (TiO2, NiO, SrTiO3, Nb2O5) [1,2]. The current models of the switching mechanisms suggest the important role of defects like oxygen vacancies [3]. Here, we report on the local structural and electronic properties of transition metal oxides embedded in MIM stacks that were obtained by using transmission electron microscopy and electron spectroscopy. We focus on the development of the stoichiometry across the MIM stack for amorphous and partial crystalline niobium oxides. Therefore, electron energy loss spectra (EELS) as well as the energy dispersive X-ray spectra (EDS) were collected on the atomic scale utilizing a nanometer probe in the scanning transmission electron microscope (STEM). The differences in the oxygen content among the electrodes and the concentration profiles at the metal/oxide interfaces in particular were investigated in dependence on the preparation method and on the electrode material. Besides, focusing on the electron loss near edge structure (ELNES) of the oxygen K edge we employed simulations using FEFF9 to describe the modifications of the electronic structure with variations in the oxygen content.

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48

Navarrete, Eric, and Eduard Llobet. "Synthesis of p-n Heterojunctions via Aerosol Assisted Chemical Vapor Deposition to Enhance the Gas Sensing Properties of Tungsten Trioxide Nanowires: A Mini-Review." Journal of Nanoscience and Nanotechnology 21, no. 4 (April 1, 2021): 2462–71. http://dx.doi.org/10.1166/jnn.2021.19105.

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Here we discuss the aerosol-assisted synthesis of p–n heterojunction metal oxides and we report their gas sensing properties via a short review of the latest results achieved. In particular, we show that the decoration of one-dimensional tungsten oxide (n-type) with nanoparticles of different p-type oxides from transition metals such as Ni, Co or Ir enables achieving a chemical and electronic sensitization of the resulting hybrid metal oxide materials. This leads to remarkable differences in responsiveness to gases, showing that, to some extent, a selective detection of some major pollutant gases (NO2, H2S or NH3) would be possible. Results are critically reviewed, shortcomings are identified and future research directions are given.

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Cinthia, Arumainayagam Jemmy, Ratnavelu Rajeswarapalanichamy, and Kombiah Iyakutti. "First Principles Study of Electronic Structure, Magnetic, and Mechanical Properties of Transition Metal Monoxides TMO(TM=Co and Ni)." Zeitschrift für Naturforschung A 70, no. 10 (October 1, 2015): 797–804. http://dx.doi.org/10.1515/zna-2015-0216.

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AbstractThe ground-state properties, electronic structure, magnetic and mechanical properties of cobalt oxide (CoO) and nickel oxide (NiO) are investigated using generalised gradient approximation parameterised by Perdew–Burke–Ernzerhof (GGA-PBE) and GGA-PBE+U formalisms. These oxides are found to be stable in the antiferromagnetic (AFM) state at normal pressure. The computed lattice parameters are in agreement with the experimental and other theoretical works. Pressure-induced magnetic transition from AFM to ferromagnetic (FM) state is predicted in NiO at a pressure of 84 GPa. Both these compounds are found to be mechanically stable in the AFM state at normal pressure.

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Pergament, A. L., V. P. Malinenko, L. A. Aleshina, E. L. Kazakova, and N. A. Kuldin. "Electrical Switching in Thin Film Structures Based on Molybdenum Oxides." Journal of Experimental Physics 2014 (September 18, 2014): 1–6. http://dx.doi.org/10.1155/2014/951297.

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We report on the experimental study of electrical instabilities in thin film structures on the basis of molybdenum oxides. Thin films of molybdenum oxide are obtained by thermal vacuum evaporation and anodic oxidation. The results of X-ray structural analysis, investigation of optical and electrical properties, are presented. It is shown that the initial vacuum-deposited oxide represents amorphous MoO3. In the MOM (metal-oxide-metal) structures with Mo oxide films obtained by the two methods, the effect of electrical switching with an S-shaped current-voltage characteristic is found. We put forward a hypothesis according to which the switching mechanism is associated with the development of electrical instability caused by the insulator-to-metal transition in Mo8O23. The switching channel, comprising this lower valence oxide, emerges in the initial film during the process of electrical forming of the MOM structure. The obtained results indicate the possibility of application of these structures in oxide micro- and nanoelectronics as electronic switches and other electronic devices.

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