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Thematische Bibliographien / Spin Polarized Molecular Systems / Zeitschriftenartikel

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Zeitschriftenartikel zum Thema „Spin Polarized Molecular Systems“

Autor: Grafiati

Veröffentlicht am 18. Mai 2024

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1

Meyerovich, A. E., S. Stepaniants und F. Laloë. „Spin dynamics in spin-polarized Fermi systems“. Journal of Low Temperature Physics 101, Nr. 3-4 (November 1995): 803–8. http://dx.doi.org/10.1007/bf00753394.

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2

Sierra, Miguel A., David Sánchez, Rafael Gutierrez, Gianaurelio Cuniberti, Francisco Domínguez-Adame und Elena Díaz. „Spin-Polarized Electron Transmission in DNA-Like Systems“. Biomolecules 10, Nr. 1 (28.12.2019): 49. http://dx.doi.org/10.3390/biom10010049.

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The helical distribution of the electronic density in chiral molecules, such as DNA and bacteriorhodopsin, has been suggested to induce a spin–orbit coupling interaction that may lead to the so-called chirality-induced spin selectivity (CISS) effect. Key ingredients for the theoretical modelling are, in this context, the helically shaped potential of the molecule and, concomitantly, a Rashba-like spin–orbit coupling due to the appearance of a magnetic field in the electron reference frame. Symmetries of these models clearly play a crucial role in explaining the observed effect, but a thorough analysis has been largely ignored in the literature. In this work, we present a study of these symmetries and how they can be exploited to enhance chiral-induced spin selectivity in helical molecular systems.

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3

Ivanova-Moser, K. D., und A. E. Meyerovich. „Boundary slip in spin-polarized quantum systems“. Journal of Low Temperature Physics 97, Nr. 1-2 (Oktober 1994): 55–90. http://dx.doi.org/10.1007/bf00752979.

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4

Shelykh, I. A., N. T. Bagraev und L. E. Klyachkin. „Spin depolarization in spontaneously polarized low-dimensional systems“. Semiconductors 37, Nr. 12 (Dezember 2003): 1390–99. http://dx.doi.org/10.1134/1.1634660.

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5

Ivanova, K. D., und A. E. Meyerovich. „Pressure diffusion and sound absorption in spin-polarized quantum systems“. Journal of Low Temperature Physics 72, Nr. 5-6 (September 1988): 461–75. http://dx.doi.org/10.1007/bf00682154.

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6

Choi, YongMan, M. Scott, T. Söhnel und Hicham Idriss. „A DFT + U computational study on stoichiometric and oxygen deficient M–CeO2 systems (M = Pd1, Rh1, Rh10, Pd10 and Rh4Pd6)“. Phys. Chem. Chem. Phys. 16, Nr. 41 (2014): 22588–99. http://dx.doi.org/10.1039/c4cp03366c.

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Molecular and dissociative adsorption processes of ethanol on stoichiometric and O-defected CeO₂(111) surfaces alone as well as in the presence of one metal atom (Pd or Rh) are studied using spin-polarized density functional theory (DFT) with the GGA + U method (U_eff = 5.0 eV).

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7

Ridier, Karl, Béatrice Gillon, Arsen Gukasov, Gregory Chaboussant, Ana Borta, Olga Iasco, Dominique Luneau, Hiroshi Sakiyama, Masahiro Mikuriya und Makoto Handa. „Polarized Neutron Diffraction study of the molecular magnetic anisotropy“. Acta Crystallographica Section A Foundations and Advances 70, a1 (05.08.2014): C278. http://dx.doi.org/10.1107/s2053273314097216.

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The magnetic anisotropy is a prerequisite for a metal complex to behave as a single-molecule magnet (SMM). Unfortunately, today we do not fully understand the relationships between the local structural parameters and the magnetic anisotropy that results at the molecular level. This is an issue that has become recursive in this area. Out of the synthesis work which is still important, but generates a multiplication of SMMs with frustrating properties, there are various studies to understand these relationships among which most are theoretical studies. In this context, we believe that polarized neutron diffraction (PND) can provide an experimental and complementary point of view to these theoretical studies. PND is indeed well known to allow an accurate determination of the spin density in magnetic compounds and in the field of molecular magnetism it has provided unique information on the pathways and the nature of intra- or intermolecular magnetic coupling [1]. In the case of highly anisotropic paramagnetic materials, where local magnetic moments cannot be aligned by an external magnetic field, that is more tricky, but a method based on local magnetic susceptibility tensor, has been recently developed that allows now analysing the data in this case and obtaining the magnetization distribution [2]. This approach was first used for inorganic compounds. Our idea has been to use this approach to go beyond the reconstruction of spin density to study the magnetic anisotropy in molecular systems. In this paper, we present the results of such an approach applied for the first time to metal complexes that are simple mono and dinuclear cobalt(II) complexes.

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Kentsch, Carsten, Wolfgang Henschel, David Wharam und Dieter P. Kern. „Spin-polarized edge states of quantum Hall systems on silicon basis“. Microelectronic Engineering 83, Nr. 4-9 (April 2006): 1753–56. http://dx.doi.org/10.1016/j.mee.2006.01.188.

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9

Tsukerblat, Boris, Andrew Palii und Juan Modesto Clemente-Juan. „Self-trapping of charge polarized states in four-dot molecular quantum cellular automata: bi-electronic tetrameric mixed-valence species“. Pure and Applied Chemistry 87, Nr. 3 (01.03.2015): 271–82. http://dx.doi.org/10.1515/pac-2014-0904.

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AbstractOur interest in this article is prompted by the problem of the vibronic self-trapping of charge polarized states in the four-dot molecular quantum cellular automata (mQCA), a paradigm for nanoelectronics, in which binary information is encoded in charge configuration of the mQCA cell. We report the evaluation of the electronic states and the adiabatic potentials of mixed-valence (MV) systems in which two electrons (or holes) are shared among four sites. These systems are exemplified by the two kinds of tetra–ruthenium (2Ru(II)+ 2Ru(III)) clusters (assembled as two coupled Creutz–Taube dimers) for which molecular implementation of mQCA was proposed. The tetra–ruthenium clusters include two holes shared among four sites and correspondingly we employ the model which takes into account the electron transfer processes as well as the Coulomb repulsion in the different instant positions of localization. The vibronic self-trapping is considered within the conventional vibronic Piepho, Krausz and Schatz (PKS) model adapted to the bi-electronic MV species with the square topology. This leads to a complicated vibronic problems (21A1g + 1B1g + 1B2g + 1Eu) ⊗ (b1g + eu) and (3A2g + 3B1g + 23Eu) ⊗ (b1g + eu) for spin-singlet and spin-triplet states correspondingly. The adiabatic potentials are evaluated with account for the low lying Coulomb levels in which the antipodal sites are occupied, the case just actual for utilization in mQCA. The conditions for the vibronic localization in spin-singlet and spin-triplet states are revealed in terms of the two actual transfer pathways parameters and strength of the vibronic coupling.

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BRODSKY, STANLEY J. „HADRON SPIN DYNAMICS“. International Journal of Modern Physics A 18, Nr. 08 (30.03.2003): 1531–50. http://dx.doi.org/10.1142/s0217751x03015027.

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Spin effects in exclusive and inclusive reactions provide an essential new dimension for testing QCD and unraveling hadron structure. Remarkable new experiments from SLAC, HERMES (DESY), and Jefferson Lab present many challenges to theory, including measurements at HERMES and SMC of the single spin asymmetries in ep → e′ π X where the proton is polarized normal to the scattering plane. This type of single spin asymmetry may be due to the effects of rescattering of the outgoing quark on the spectators of the target proton, an effect usually neglected in conventional QCD analyses. Many aspects of spin, such as single-spin asymmetries and baryon magnetic moments are sensitive to the dynamics of hadrons at the amplitude level, rather than probability distributions. I will illustrate the novel features of spin dynamics for relativistic systems by examining the explicit form of the light-front wavefunctions for the two-particle Fock state of the electron in QED, thus connecting the Schwinger anomalous magnetic moment to the spin and orbital momentum carried by its Fock state constituents and providing a transparent basis for understanding the structure of relativistic composite systems and their matrix elements in hadronic physics. I also present a survey of outstanding spin puzzles in QCD, particularly ANN in elastic pp scattering, the J/ψ → ρπ puzzle, and J/ψ polarization at the Tevatron.

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11

Chen, Chen, Xin Ye, Jiacheng Sun, Yuxin Chen, Chunyu Huang, Xingjian Xiao, Wange Song, Shining Zhu und Tao Li. „Bifacial-metasurface-enabled pancake metalens with polarized space folding“. Optica 9, Nr. 12 (23.11.2022): 1314. http://dx.doi.org/10.1364/optica.474650.

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Replacing traditional refractive lenses with metalenses that have ultrathin and flat architecture could make imaging systems more compact. However, the space between the lens and image is usually the dominating factor in determining the bulkiness, and it cannot be shortened just by using thinner lenses. Here, we propose a pancake metalens that folds the optical path at will using a metacavity consisting of a spin-dependent bifacial metasurface and a mirror. We first verify the asymmetric and independent functions of this bifacial metasurface, and then demonstrate the polarized space-folding effect of the metacavity. Imparted with specifically designed phase, we demonstrate a pancake metalens with on-demand (e.g., 2/3 and 4/5) reduction of imaging distance and relatively good imaging performance. This pancake metaoptics framework could enable miniaturization of imaging systems and would provide insights for metadevice applications.

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12

Amamizu, Naoka, Mitsuhiro Nishida, Keisuke Sasaki, Ryohei Kishi und Yasutaka Kitagawa. „Theoretical Study on the Open-Shell Electronic Structure and Electron Conductivity of [18]Annulene as a Molecular Parallel Circuit Model“. Nanomaterials 14, Nr. 1 (31.12.2023): 98. http://dx.doi.org/10.3390/nano14010098.

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Herein, the electron conductivities of [18]annulene and its derivatives are theoretically examined as a molecular parallel circuit model consisting of two linear polyenes. Their electron conductivities are estimated by elastic scattering Green’s function (ESGF) theory and density functional theory (DFT) methods. The calculated conductivity of the [18]annulene does not follow the classical conductivity, i.e., Ohm’s law, suggesting the importance of a quantum interference effect in single molecules. By introducing electron-withdrawing groups into the annulene framework, on the other hand, a spin-polarized electronic structure appears, and the quantum interference effect is significantly suppressed. In addition, the total current is affected by the spin polarization because of the asymmetry in the coupling constant between the molecule and electrodes. From these results, it is suggested that the electron conductivity as well as the quantum interference effect of π-conjugated molecular systems can be designed using their open-shell nature, which is chemically controlled by the substituents.

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13

Fan, Gang, Xue-Mei Ren und Fang-Fang Du. „Compact entanglement concentration for three-electron-spin W states with error-detected parity-check gates“. Laser Physics 33, Nr. 8 (23.06.2023): 085202. http://dx.doi.org/10.1088/1555-6611/acde70.

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Abstract We present a compact entanglement concentration protocol (ECP) for unknown less-entangled three-electron-spin W states, resorting to the interaction rules between the circularly polarized photon and cavity-quantum-dot (QD) system. In the first step of our ECP, the parties utilize two less-entangled three-electron-spin systems not only to obtain one partially entangled three-electron-spin system with two unknown parameters if the odd-parity occurs with the parity-check gate (PCG) but also to get one entangled two-electron-spin system if the even-parity occurs. By exploiting the above three-electron-spin and two-electron-spin systems as the resource for the second step of our ECP, the parties can obtain a standard three-electron-spin W state if the odd parity occurs. Meanwhile, the systems in the even-parity instance can be used as the resource in the next round of our ECP. As the imperfect performances originated from the side leakage and the limited coupling strength of the cavity-QD system can be reflected by clicking the single-photon detectors, the fidelity of the PCG is unit, in principle, immune to strong coupling-strength restriction. Moreover, the success of our ECP not only is heralded by the detectors but also its efficiency further is improved by repeating the operation processes. Therefore, our ECP is useful in the quantum communication network.

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14

Stass, Dmitri V. „Geometrization for Energy Levels of Isotropic Hyperfine Hamiltonian Block and Related Central Spin Problems for an Arbitrarily Complex Set of Spin-1/2 Nuclei“. International Journal of Molecular Sciences 23, Nr. 23 (02.12.2022): 15199. http://dx.doi.org/10.3390/ijms232315199.

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Description of interacting spin systems relies on understanding the spectral properties of the corresponding spin Hamiltonians. However, the eigenvalue problems arising here lead to algebraic problems too complex to be analytically tractable. This is already the case for the simplest nontrivial (Kmax−1) block for an isotropic hyperfine Hamiltonian for a radical with spin-12 nuclei, where n nuclei produce an n-th order algebraic equation with n independent parameters. Systems described by such blocks are now physically realizable, e.g., as radicals or radical pairs with polarized nuclear spins, appear as closed subensembles in more general radical settings, and have numerous counterparts in related central spin problems. We provide a simple geometrization of energy levels in this case: given n spin-12 nuclei with arbitrary positive couplings ai, take an n-dimensional hyper-ellipsoid with semiaxes ai, stretch it by a factor of n+1 along the spatial diagonal (1, 1, …, 1), read off the semiaxes of thus produced new hyper-ellipsoid qi, augment the set {qi} with q0=0, and obtain the sought n+1 energies as Ek=−12qk2+14∑iai. This procedure provides a way of seeing things that can only be solved numerically, giving a useful tool to gain insights that complement the numeric simulations usually inevitable here, and shows an intriguing connection to discrete Fourier transform and spectral properties of standard graphs.

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15

Tsai, Hung-Yi, und Jeng-Da Chai. „Real-Time Extension of TAO-DFT“. Molecules 28, Nr. 21 (24.10.2023): 7247. http://dx.doi.org/10.3390/molecules28217247.

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Thermally assisted occupation density functional theory (TAO-DFT) has been an efficient electronic structure method for studying the ground-state properties of large electronic systems with multi-reference character over the past few years. To explore the time-dependent (TD) properties of electronic systems (e.g., subject to an intense laser pulse), in this work, we propose a real-time (RT) extension of TAO-DFT, denoted as RT-TAO-DFT. Moreover, we employ RT-TAO-DFT to study the high-order harmonic generation (HHG) spectra and related TD properties of molecular hydrogen H2 at the equilibrium and stretched geometries, aligned along the polarization of an intense linearly polarized laser pulse. The TD properties obtained with RT-TAO-DFT are compared with those obtained with the widely used time-dependent Kohn–Sham (TDKS) method. In addition, issues related to the possible spin-symmetry breaking effects in the TD properties are discussed.

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16

Chen, Qian, Peijun Liu, Yanan Fu, Shuoshuo Zhang, Yuquan Zhang, Xiaocong Yuan und Changjun Min. „Monolayer Chiral Metasurface for Generation of Arbitrary Cylindrical Vector Beams“. Photonics 11, Nr. 1 (05.01.2024): 57. http://dx.doi.org/10.3390/photonics11010057.

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The cylindrical vector beam (CVB) has been widely studied and applied in recent years. However, many CVB generation methods suffer from complex systems, and large-size devices are required. Here, we propose a monolayer chiral metasurface composed of spin-sensitive unit cells which can generate different holograms for left- and right-circular polarization based on the combined modulation of geometric phase and detour phase. With a linearly polarized incident beam, the metasurface can generate CVBs with controllable polarization angles and orders, and even more complex vector beams. This work provides a new idea for the design of miniaturized optical devices for generating arbitrary vector beams.

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17

Park, Keon Joo, Chae Won Kim, Min Jae Sung, Jiyoul Lee und Young Tea Chun. „Semiconducting Polymer Nanowires with Highly Aligned Molecules for Polymer Field Effect Transistors“. Electronics 11, Nr. 4 (18.02.2022): 648. http://dx.doi.org/10.3390/electronics11040648.

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Conjugated polymers have emerged as promising materials for next-generation electronics. However, in spite of having several advantages, such as a low cost, large area processability and flexibility, polymer-based electronics have their own limitations concerning low electrical performance. To achieve high-performance polymer electronic devices, various strategies have been suggested, including aligning polymer backbones in the desired orientation. In the present paper, we report a simple patterning technique using a polydimethylsiloxane (PDMS) mold that can fabricate highly aligned nanowires of a diketopyrrolopyrrole (DPP)-based donor–acceptor-type copolymer (poly (diketopyrrolopyrrole-alt-thieno [3,2-b] thiophene), DPP-DTT) for high-performance field effect transistors. The morphology of the patterns was controlled by changing the concentration of the DPP-based copolymer solution (1, 3, 5 mg mL−1). The molecular alignment properties of three different patterns were observed with a polarized optical microscope, polarized UV-vis spectroscopy and an X-ray diffractometer. DPP-DTT nanowires made with 1 mg mL−1 solution are highly aligned and the polymer field-effect transistors based on nanowires exhibit more than a five times higher charge carrier mobility as compared to spin-coated film-based devices.

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Valković, Vlado, und Jasmina Obhođaš. „Origins of Chiral Life in Interstellar Molecular Clouds“. Astronomical Journal 163, Nr. 6 (17.05.2022): 270. http://dx.doi.org/10.3847/1538-3881/ac63d0.

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Abstract The exploring of galactic chemical composition across the the Milky Way, and specifically across the solar neighborhood, provides insights into the chemical evolution of the universe. Since the formation of the first stars some hundred million years after the big bang (BB), heavier elements are synthesized in different stellar production processes at the expense of lighter elements. When the relative abundances of the life-forming elements evaluated for the Last Universal Common Ancestor (LUCA) are compared with the solar neighborhood stellar abundances, a striking similarity occurs. In this study, we tested the hypothesis that in some particular regions and at some particular time, the abundance curve of the first living matter and the universe coincided. Indeed, the best agreement between the two curves was obtained for (4 ± 1)× 109 yr after the BB, indicating the time of the origin of life. All organisms evolved on the Earth independently of place and time are leading to the LUCA and involve chiral molecules such as L amino acids and D sugars in fundamental life processes. The growing evidence from carbonaceous meteorites analysis shows an excess of L-type amino acids and D-type sugars, suggesting that the increase in L-type or D-type molecular chirality is the process that takes place in planetary and stellar forming systems, thus the life emerging from interstellar molecular clouds (IMCs) had to be chiral. Here we propose the spin-polarized proton–proton scattering as a potential physical process that takes place in IMCs environments and could lead to enrichment of L-type amino acids and D-type sugars.

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Argaez, C., und M. Melgaard. „Minimizers for open-shell, spin-polarised Kohn–Sham equations for non-relativistic and quasi-relativistic molecular systems“. Methods and Applications of Analysis 23, Nr. 3 (2016): 269–92. http://dx.doi.org/10.4310/maa.2016.v23.n3.a4.

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20

Pivovarova, Nadezhda Anatolievna, und Ekaterina Sergeevna Akishina. „Defining dispersion in dark oil medium“. Oil and gas technologies and environmental safety 2023, Nr. 1 (28.02.2023): 22–28. http://dx.doi.org/10.24143/1812-9498-2023-1-22-28.

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Properties of oil and petroleum products largely depend on the fractional and chemical composition, on the quantitative content of different components in them, their qualitative characteristics, as well as on the dispersed composition of the oil system. Examples of oil dispersed systems are given in accordance with their classification. The dispersed phase and its structure are considered on the basis of classical concepts as a complex structural unit consisting of a nuclear and layers surrounding it. The dispersion degree is defined by the forces of intermolecular interaction between the nucleus and layers of a complex structural unit, as well as between the layers. A great contribution to forming and stability of a complex structural unit is made by bonds based on spin-spin and spin-polarized interactions. The diamagnetic components of the system form a dispersion environment. The greater a dispersion, the stronger the molecular kinetic factors become, the more intensive the diffusion processes are, the sedimentation stability increases, and the physico-chemical processes at the phase boundary accelerate. Therefore, dispersion is one of the most important factors of oil dispersed systems that determine their properties (viscosity, flash and solidification temperatures, fractional composition, density). The study of changes in the dispersion of the system under various kinds of influences, determined by the size of the average diameter of the particles of the dispersed phase, makes it possible to identify the most favorable conditions for the implementation of technological processes during transportation, storage, processing, and ensuring environmental safety. The proposed photoelectrocolorimetric method for determining a mean diameter of particles of the dispersed phase of dark and viscous petroleum products differs from the well-known method in that it is carried out without diluting the sample, which could distort its dispersed composition. Besides, the sample optical density is determined in a thin fixed layer of a petroleum product due to a hard insert between the slides. The analysis methodology is described including a description of the device, a sequence of preparation and measurement, as well as processing of the results obtained.

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McWilliam, Amy, Claire Marie Cisowski, Robert Bennett und Sonja Franke-Arnold. „Angular momentum redirection phase of vector beams in a non-planar geometry“. Nanophotonics 11, Nr. 4 (15.11.2021): 727–36. http://dx.doi.org/10.1515/nanoph-2021-0528.

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Abstract An electric field propagating along a non-planar path can acquire geometric phases. Previously, geometric phases have been linked to spin redirection and independently to spatial mode transformation, resulting in the rotation of polarisation and intensity profiles, respectively. We investigate the non-planar propagation of scalar and vector light fields and demonstrate that polarisation and intensity profiles rotate by the same angle. The geometric phase acquired is proportional to j = ℓ + σ, where ℓ is the topological charge and σ is the helicity. Radial and azimuthally polarised beams with j = 0 are eigenmodes of the system and are not affected by the geometric path. The effects considered here are relevant for systems relying on photonic spin Hall effects, polarisation and vector microscopy, as well as topological optics in communication systems.

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22

Ball, James E., Jim M. Wild und Graham Norquay. „Investigating Rubidium Density and Temperature Distributions in a High-Throughput 129Xe-Rb Spin-Exchange Optical Pumping Polarizer“. Molecules 28, Nr. 1 (20.12.2022): 11. http://dx.doi.org/10.3390/molecules28010011.

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Accurate knowledge of the rubidium (Rb) vapor density, [Rb], is necessary to correctly model the spin dynamics of 129Xe-Rb spin-exchange optical pumping (SEOP). Here we present a systematic evaluation of [Rb] within a high-throughput 129Xe-Rb hyperpolarizer during continuous-flow SEOP. Near-infrared (52S1/2→52P1/2 (D1)/52P3/2 (D2)) and violet (52S1/2→62P1/2/62P3/2) atomic absorption spectroscopy was used to measure [Rb] within 3.5 L cylindrical SEOP cells containing different spatial distributions and amounts of Rb metal. We were able to quantify deviation from the Beer-Lambert law at high optical depth for D2 and 62P3/2 absorption by comparison with measurements of the D1 and 62P1/2 absorption lines, respectively. D2 absorption deviates from the Beer-Lambert law at [Rb]D2>4×1017 m−3 whilst 52S1/2→62P3/2 absorption deviates from the Beer-Lambert law at [Rb]6P3/2>(4.16±0.01)×1019 m−3. The measured [Rb] was used to estimate a 129Xe-Rb spin exchange cross section of γ′=(1.2±0.1)×10−21 m3 s−1, consistent with spin-exchange cross sections from the literature. Significant [Rb] heterogeneity was observed in a SEOP cell containing 1 g of Rb localized at the back of the cell. While [Rb] homogeneity was improved for a greater surface area of the Rb source distribution in the cell, or by using a Rb presaturator, the measured [Rb] was consistently lower than that predicted by saturation Rb vapor density curves. Efforts to optimize [Rb] and thermal management within spin polarizer systems are necessary to maximize potential future enhancements of this technology.

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Zhang, Xinyuan, Xiaoting Chen, Yan Lin, Yan Meng, Guoliang Li, Yaoming Xie und Henry F. Schaefer. „Probing the Potential Energy Profile of the I + (H2O)3 → HI + (H2O)2OH Forward and Reverse Reactions: High Level CCSD(T) Studies with Spin-Orbit Coupling Included“. Molecules 28, Nr. 2 (16.01.2023): 904. http://dx.doi.org/10.3390/molecules28020904.

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Three different pathways for the atomic iodine plus water trimer reaction I + (H2O)3 → HI + (H2O)2OH were preliminarily examined by the DFT-MPW1K method. Related to previous predictions for the F/Cl/Br + (H2O)3 reactions, three pathways for the I + (H2O)3 reaction are linked in terms of geometry and energetics. To legitimize the results, the “gold standard” CCSD(T) method was employed to investigate the lowest-lying pathway with the correlation-consistent polarized valence basis set up to cc-pVQZ(-PP). According to the CCSD(T)/cc-pVQZ(-PP)//CCSD(T)/cc-pVTZ(-PP) results, the I + (H2O)3 → HI + (H2O)2OH reaction is predicted to be endothermic by 47.0 kcal mol−1. The submerged transition state is predicted to lie 43.7 kcal mol−1 above the separated reactants. The I···(H2O)3 entrance complex lies below the separated reactants by 4.1 kcal mol−1, and spin-orbit coupling has a significant impact on this dissociation energy. The HI···(H2O)2OH exit complex is bound by 4.3 kcal mol−1 in relation to the separated products. Compared with simpler I + (H2O)2 and I + H2O reactions, the I + (H2O)3 reaction is energetically between them in general. It is speculated that the reaction between the iodine atom and the larger water clusters may be energetically analogous to the I + (H2O)3 reaction. The iodine reaction I + (H2O)3 is connected with the analogous valence isoelectronic bromine/chlorine reactions Br/Cl + (H2O)3 but much different from the F + (H2O)3 reaction. Significant difference with other halogen systems, especially for barrier heights, are seen for the iodine systems.

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Arzoumanian, D., R. S. Furuya, T. Hasegawa, M. Tahani, S. Sadavoy, C. L. H. Hull, D. Johnstone et al. „Dust polarized emission observations of NGC 6334“. Astronomy & Astrophysics 647 (März 2021): A78. http://dx.doi.org/10.1051/0004-6361/202038624.

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Context. Molecular filaments and hubs have received special attention recently thanks to new studies showing their key role in star formation. While the (column) density and velocity structures of both filaments and hubs have been carefully studied, their magnetic field (B-field) properties have yet to be characterized. Consequently, the role of B-fields in the formation and evolution of hub-filament systems is not well constrained. Aims. We aim to understand the role of the B-field and its interplay with turbulence and gravity in the dynamical evolution of the NGC 6334 filament network that harbours cluster-forming hubs and high-mass star formation. Methods. We present new observations of the dust polarized emission at 850 μm toward the 2 pc × 10 pc map of NGC 6334 at a spatial resolution of 0.09 pc obtained with the James Clerk Maxwell Telescope (JCMT) as part of the B-field In STar-forming Region Observations (BISTRO) survey. We study the distribution and dispersion of the polarized intensity (PI), the polarization fraction (PF), and the plane-of-the-sky B-field angle (χB_POS) toward the whole region, along the 10 pc-long ridge and along the sub-filaments connected to the ridge and the hubs. We derived the power spectra of the intensity and χBPOS along the ridge crest and compared them with the results obtained from simulated filaments. Results. The observations span ~3 orders of magnitude in Stokes I and PI and ~2 orders of magnitude in PF (from ~0.2 to ~ 20%). A large scatter in PI and PF is observed for a given value of I. Our analyses show a complex B-field structure when observed over the whole region (~ 10 pc); however, at smaller scales (~1 pc), χBPOS varies coherently along the crests of the filament network. The observed power spectrum of χBPOS can be well represented with a power law function with a slope of − 1.33 ± 0.23, which is ~20% shallower than that of I. We find that this result is compatible with the properties of simulated filaments and may indicate the physical processes at play in the formation and evolution of star-forming filaments. Along the sub-filaments, χBPOS rotates frombeing mostly perpendicular or randomly oriented with respect to the crests to mostly parallel as the sub-filaments merge with the ridge and hubs. This variation of the B-field structure along the sub-filaments may be tracing local velocity flows of infalling matter in the ridge and hubs. Our analysis also suggests a variation in the energy balance along the crests of these sub-filaments, from magnetically critical or supercritical at their far ends to magnetically subcritical near the ridge and hubs. We also detect an increase in PF toward the high-column density (NH2 ≳ 1023 cm−2) star cluster-forming hubs. These latter large PF values may be explained by the increase in grain alignment efficiency due to stellar radiation from the newborn stars, combined with an ordered B-field structure. Conclusions. These observational results reveal for the first time the characteristics of the small-scale (down to ~ 0.1 pc) B-field structure of a 10 pc-long hub-filament system. Our analyses show variations in the polarization properties along the sub-filaments that may be tracing the evolution of their physical properties during their interaction with the ridge and hubs. We also detect an impact of feedback from young high-mass stars on the local B-field structure and the polarization properties, which could put constraints on possible models for dust grain alignment and provide important hints as to the interplay between the star formation activity and interstellar B-fields.

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Liu, Shanshan, Ke Yang, Wenqing Liu, Enze Zhang, Zihan Li, Xiaoqian Zhang, Zhiming Liao et al. „Two-dimensional ferromagnetic superlattices“. National Science Review 7, Nr. 4 (16.12.2019): 745–54. http://dx.doi.org/10.1093/nsr/nwz205.

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Abstract Mechanically exfoliated two-dimensional ferromagnetic materials (2D FMs) possess long-range ferromagnetic order and topologically nontrivial skyrmions in few layers. However, because of the dimensionality effect, such few-layer systems usually exhibit much lower Curie temperature (TC) compared to their bulk counterparts. It is therefore of great interest to explore effective approaches to enhance their TC, particularly in wafer-scale for practical applications. Here, we report an interfacial proximity-induced high-TC 2D FM Fe3GeTe2 (FGT) via A-type antiferromagnetic material CrSb (CS) which strongly couples to FGT. A superlattice structure of (FGT/CS)n, where n stands for the period of FGT/CS heterostructure, has been successfully produced with sharp interfaces by molecular-beam epitaxy on 2-inch wafers. By performing elemental specific X-ray magnetic circular dichroism (XMCD) measurements, we have unequivocally discovered that TC of 4-layer Fe3GeTe2 can be significantly enhanced from 140 K to 230 K because of the interfacial ferromagnetic coupling. Meanwhile, an inverse proximity effect occurs in the FGT/CS interface, driving the interfacial antiferromagnetic CrSb into a ferrimagnetic state as evidenced by double-switching behavior in hysteresis loops and the XMCD spectra. Density functional theory calculations show that the Fe-Te/Cr-Sb interface is strongly FM coupled and doping of the spin-polarized electrons by the interfacial Cr layer gives rise to the TC enhancement of the Fe3GeTe2 films, in accordance with our XMCD measurements. Strikingly, by introducing rich Fe in a 4-layer FGT/CS superlattice, TC can be further enhanced to near room temperature. Our results provide a feasible approach for enhancing the magnetic order of few-layer 2D FMs in wafer-scale and render opportunities for realizing realistic ultra-thin spintronic devices.

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Vullev, Valentine I., und Jaime O. O`Mari. „Reliable Information about Electrochemical Potentials from Cyclic Voltammograms That Look “Messy”“. ECS Meeting Abstracts MA2023-02, Nr. 54 (22.12.2023): 2640. http://dx.doi.org/10.1149/ma2023-02542640mtgabs.

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The importance of voltammetry for characterizing electronic properties of molecular species and (nano)materials cannot be overstated. Among the most broadly used electroanalytical techniques, cyclic voltammetry (CV) offers an incomparably facile means for estimating standard electrochemical potentials, E (0), which are essential for analysis of charge transfer, energy conversion and photocatalysis [Phys. Chem. Chem. Phys. 2020, 22, 21583-21629]. Redox irreversibility, liquid-junction potentials, and uncertainties about the microenvironment on the surfaces of polarized working electrodes present key challenges for the validity of CV analysis [Curr. Opin. Electrochem. 2022, 31, 100862]. As an average of anodic and cathodic peak potentials extracted from cyclic voltammograms, half-wave potentials, E (1/2), serve as a good approximation for E (0). This approximation is acceptable for results from voltammograms exhibiting even partial chemical reversibility [J. Electrochem. Soc. 2019, 166, H3175-H3187]. Conversely, cyclic voltammograms lacking an anodic or cathodic peak die to irreversible reduction or oxidation, respectively, render estimating E (1/2) impossible. In fact, irreversibility of electrochemical oxidation and reduction is more or less the rule rather than the exception. Statistical analysis of a series of voltammograms allows us to demonstrate that the potentials at the inflection points at the rise of the cathodic and anodic waves represent a good approximation of E (1/2) for reduction and oxidation, respectively [J. Electrochem. Soc. 2019, 166, H3175-H3187]. The use of inflection potentials significantly broadens the applicability of CV for extracting meaningful results from voltammograms showing irreversible behavior. It allows us to investigate in parallel a series of electron-rich and electron-deficient polycyclic aromatic species not only with similar structures, but also with similar spin-density distributions of their radical ions, regardless their stability and reversible redox behavior in different solution media. Reformulating the Rehm-Weller equation for CT thermodynamic analysis, offers a means for eliminating the effects of liquid-junction potentials while studying electron donor-acceptor pairs [Proc. Natl. Acad. Sci. USA 2021, 118, e2026462118]. Employing this approach to donors and acceptors with similar structures reveals patterns correlated with the microenvironment at the surfaces of polarized working electrodes. Global-fit analysis of the dependence of CV-extracted reduction potentials on the concentration of the supporting electrolyte for different solvents yields information about the liquid-junction potentials in the electrochemical cell and about the polarity of the microenvironment of the redox species at the electrode surface [J. Phys. Chem. B 2023, 127, 1443-1458]. These outcomes offer a key foundation not only for improved voltammetric estimates of standard electrochemical potentials of redox species, but also for the polarity dependence of these potentials, permitting their broad applicability to systems in widely different media.

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Kostarov, Dmitri A., und Koba O. Khutsishvili. „Superradiance in highly-polarized spin-systems“. Czechoslovak Journal of Physics 46, S4 (April 1996): 1927–28. http://dx.doi.org/10.1007/bf02570955.

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28

Franchin, Matteo, Giuliano Bordignon, Thomas Fischbacher, Guido Meier, Jürgen Zimmermann, Peter de Groot und Hans Fangohr. „Spin-polarized currents in exchange spring systems“. Journal of Applied Physics 103, Nr. 7 (April 2008): 07A504. http://dx.doi.org/10.1063/1.2837665.

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da Cunha Lima, I. C. „Spin-polarized transport in low-dimensional systems“. Microelectronics Journal 34, Nr. 5-8 (Mai 2003): 475–80. http://dx.doi.org/10.1016/s0026-2692(03)00076-4.

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Meyerovich, Alexander E., und Armen Stepaniants. „Dipole effects in spin dynamics of spin-polarized quantum systems“. Czechoslovak Journal of Physics 46, S1 (Januar 1996): 203–4. http://dx.doi.org/10.1007/bf02569517.

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31

Laloë, F., und G. Vermeulen. „Spin Polarized Fluids“. Physica Scripta T29 (01.01.1989): 293–95. http://dx.doi.org/10.1088/0031-8949/1989/t29/057.

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32

Arkeryd, Leif. „A kinetic equation for spin polarized Fermi systems“. Kinetic & Related Models 7, Nr. 1 (2014): 1–8. http://dx.doi.org/10.3934/krm.2014.7.1.

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Jeon, J. W., und W. J. Mullin. „Kinetic equation for dilute, spin-polarized quantum systems“. Journal de Physique 49, Nr. 10 (1988): 1691–706. http://dx.doi.org/10.1051/jphys:0198800490100169100.

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34

Quintero-Monsebaiz, Raul, Ion Mitxelena, Mauricio Rodríguez-Mayorga, Alberto Vela und Mario Piris. „Natural orbital functional for spin-polarized periodic systems“. Journal of Physics: Condensed Matter 31, Nr. 16 (21.02.2019): 165501. http://dx.doi.org/10.1088/1361-648x/ab0170.

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35

Lim, T. K. „Efimov effect and spin-polarized hypernuclear-atom systems“. Physical Review A 34, Nr. 5 (01.11.1986): 4424–25. http://dx.doi.org/10.1103/physreva.34.4424.

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36

Meyerovich, A. E., J. H. Naish, J. R. Owers-Bradley und A. Stepaniants. „Zero-temperature relaxation in spin-polarized Fermi systems“. Low Temperature Physics 23, Nr. 5 (Mai 1997): 411–19. http://dx.doi.org/10.1063/1.593471.

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37

Pérez-Díaz, J. L., und M. C. Muñoz. „Spin-polarized electrons at interfaces: Co/Cu systems“. Physical Review B 50, Nr. 12 (15.09.1994): 8824–31. http://dx.doi.org/10.1103/physrevb.50.8824.

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38

VÝBORNÝ, KAREL, und DANIELA PFANNKUCHE. „SPIN STRUCTURES IN INHOMOGENEOUS FRACTIONAL QUANTUM HALL SYSTEMS“. International Journal of Modern Physics B 18, Nr. 27n29 (30.11.2004): 3871–74. http://dx.doi.org/10.1142/s0217979204027621.

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Transitions between spin polarized and spin singlet incompressible ground state of quantum Hall systems at filling factor 2/3 are studied by means of exact diagonalization with eight electrons. We observe a stable exactly half–polarized state becoming the absolute ground state around the transition point. This might be a candidate for the anomaly observed during the transition in optical experiments. The state reacts strongly to magnetic inhomogeneities but it prefers stripe–like spin structures to formation of domains.

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Bedell, Kevin S., Isaac F. Silvera und Neil S. Sullivan. „Spin-Polarized Quantum Fluids and Solids“. MRS Bulletin 18, Nr. 8 (August 1993): 38–43. http://dx.doi.org/10.1557/s0883769400037751.

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The spin-polarized phases of the quantum fluids and solids, liquid 3He, solid 3He, and spin-aligned hydrogen have generated considerable excitement over the past fifteen years. The introduction of high magnetic fields (B ∼ 10–30 T) in conjunction with low temperatures (T ≲ 100 mK) has given rise to opportunities for exploring some of the new phases predicted for these materials. There is a broad range of physical phenomena that can be accessed in this regime of parameter space—unconventional superfluidity, unusual magnetic ordering, Bose-Einstein condensation and Kosterlitz-Thouless transitions, to name a few. This is most surprising since this plethora of complicated states of matter are present in some of the most uncomplicated materials. The rich variety of phases found in these materials are all examples of collective phenomena of quantum many-body systems, and they serve as prototypes for developing an understanding of magnetism and order/disorder processes in other systems, and for the design and characterization of new materials.

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Ladygin, V. P., I. Dobrin, V. V. Fimushkin, D. A. Finogenov, S. G. Genchev, Yu V. Gurchin, A. P. Ierusalimov et al. „The Spin Studies in Few-Body Systems at Nuclotron“. International Journal of Modern Physics: Conference Series 40 (Januar 2016): 1660074. http://dx.doi.org/10.1142/s2010194516600740.

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Recent results on spin effects in few nucleon systems obtained at Nuclotron-JINR are presented. The data on the deuteron analyzing powers in different reactions in the wide energy range demonstrate the sensitivity to the short-range spin structure of the light nuclei. The future plans on the studies with polarized deuterons from new polarized ion source at Nuclotron will be reported.

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Sugawara, Tadashi, Hiromi Sakurai und Akira Izuoka. „ChemInform Abstract: Electronically Controllable High Spin Systems Realized by Spin-Polarized Donors“. ChemInform 32, Nr. 30 (25.05.2010): no. http://dx.doi.org/10.1002/chin.200130273.

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42

Pierce, Daniel T. „Spin-polarized electron microscopy“. Physica Scripta 38, Nr. 2 (01.08.1988): 291–96. http://dx.doi.org/10.1088/0031-8949/38/2/035.

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YAMADA, Toyo Kazu. „How to Get Molecular Spin-Polarization Using Spin-Polarized STM“. Hyomen Kagaku 36, Nr. 7 (2015): 375–81. http://dx.doi.org/10.1380/jsssj.36.375.

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44

Rakitzis, T. P. „Spin-Polarized Hydrogen Atoms from Molecular Photodissociation“. Science 300, Nr. 5627 (20.06.2003): 1936–38. http://dx.doi.org/10.1126/science.1084809.

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45

Kim, Wonkee, und F. Marsiglio. „Spin transfer in ferromagnetic systems“. Canadian Journal of Physics 84, Nr. 6-7 (15.01.2006): 507–15. http://dx.doi.org/10.1139/p06-001.

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We illustrate spin transfer from spin-polarized electrons to ferromagnetic layers. Unlike the field-induced Zeeman interaction, which explains only the precession of a magnetic moment, the spin flip interaction describes the spin torque as well as the precession. The detailed dynamics of a magnetic moment depends on important parameters such as the incoming energy of electrons. In the case of multilayer systems, we demonstrate quantum phenomena ranging from spin transmission resonance to magnetoelectric spin echo that depend on the interlayer coupling between the two ferromagnetic thin films. We also show the possibility of a negative spin torque acting on the second moment in a bilayer system. PACS Nos.: 75.70.Ak,72.25.-b,85.75.-d

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Bokhan, Denis, und Rodney J. Bartlett. „Ab initio density functional theory for spin-polarized systems“. Chemical Physics Letters 427, Nr. 4-6 (August 2006): 466–71. http://dx.doi.org/10.1016/j.cplett.2006.07.020.

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47

Chen, Jiqiang, J. B. Krieger, R. O. Esquivel, M. J. Stott und G. J. Iafrate. „Kohn-Sham effective potentials for spin-polarized atomic systems“. Physical Review A 54, Nr. 3 (01.09.1996): 1910–21. http://dx.doi.org/10.1103/physreva.54.1910.

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48

Jeon, Gun Sang, M. Y. Choi und S. R. Eric Yang. „Coulomb gaps in one-dimensional spin-polarized electron systems“. Physical Review B 54, Nr. 12 (15.09.1996): R8341—R8344. http://dx.doi.org/10.1103/physrevb.54.r8341.

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Belozerova, T. S., V. K. Henner und V. I. Yukalov. „Computer simulation of coherent effects in polarized spin systems“. Computer Physics Communications 73, Nr. 1-3 (Dezember 1992): 151–60. http://dx.doi.org/10.1016/0010-4655(92)90035-w.

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50

Bedford, A. S., R. M. Bowley, J. R. Owers-Bradley und D. Wightman. „Multiple spin echoes in spin polarized Fermi liquids“. Journal of Low Temperature Physics 85, Nr. 5-6 (Dezember 1991): 389–422. http://dx.doi.org/10.1007/bf00682194.

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