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1

Deily Nazar, N., T. Vazifehshenas, M. R. Ebrahimi, and F. M. Peeters. "Strong anisotropic optical properties of 8-Pmmn borophene: a many-body perturbation study." Physical Chemistry Chemical Physics 23, no. 30 (2021): 16417–22. http://dx.doi.org/10.1039/d1cp01910d.

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2

Zhang, Jin, Artem R. Oganov, Xinfeng Li, Huafeng Dong, and Qingfeng Zeng. "Novel compounds in the Zr–O system, their crystal structures and mechanical properties." Physical Chemistry Chemical Physics 17, no. 26 (2015): 17301–10. http://dx.doi.org/10.1039/c5cp02252e.

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3

Kong, Weixiang, Xiaoliang Xiao, Wangping Xu, Rui Wang, Li-Yong Gan, Juan Wei, Jing Fan, and Xiaozhi Wu. "The Dirac cone in two-dimensional tetragonal silicon carbides: a ring coupling mechanism." Nanoscale 13, no. 43 (2021): 18267–72. http://dx.doi.org/10.1039/d1nr04586e.

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4

Wu, Haiping, Yan Qian, Zhengwei Du, Renzhu Zhu, Erjun Kan, and Kaiming Deng. "Prediction of another semimetallic silicene allotrope with Dirac fermions." Physics Letters A 381, no. 44 (November 2017): 3754–59. http://dx.doi.org/10.1016/j.physleta.2017.09.049.

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5

Wang, Shuaiwei, Donghai Wu, Baocheng Yang, Eli Ruckenstein, and Houyang Chen. "Semimetallic carbon honeycombs: new three-dimensional graphene allotropes with Dirac cones." Nanoscale 10, no. 6 (2018): 2748–54. http://dx.doi.org/10.1039/c7nr07824b.

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6

Penazzi, Gabriele, Peter Deák, Bálint Aradi, Tim Wehling, Alessio Gagliardi, Huynh Anh Huy, Binghai Yan, and Thomas Frauenheim. "TiO2 Nanowires as a Wide Bandgap Dirac Material: a numerical study of impurity scattering and Anderson disorder." MRS Proceedings 1659 (2014): 187–91. http://dx.doi.org/10.1557/opl.2014.150.

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ABSTRACTDirac materials are characterized by exceptional mobility, orders of magnitude higher than any semiconductor, due to the massless pseudorelativistic nature of the Dirac fermions. These systems being semimetallic, the lack of a genuine band-gap poses a serious limitation to their possible applications in electronics. We recently demonstrated that thin TiO2 nanowires can exhibit 1D Dirac states similar to metallic carbon nanotubes, with the crucial difference that these states lie inside the conduction band in proximity of a wide band gap. We analyze the robustness of the Dirac states respect to an Anderson disorder model and substitutional impurity and compare to different one dimensional systems. The results suggest that thin anatase TiO2 nanowires can be a promising candidate material for switching devices.
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7

Zhang, Wei, Changchun Chai, Qingyang Fan, Yanxing Song, Yuqian Liu, Yintang Yang, Minglei Sun, and Udo Schwingenschlögl. "Semimetallic 2D Alkynyl Carbon Materials with Distorted Type I Dirac Cones." Journal of Physical Chemistry C 125, no. 32 (August 5, 2021): 18022–30. http://dx.doi.org/10.1021/acs.jpcc.1c04993.

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8

Bafekry, A., M. Faraji, N. N. Hieu, Yee Sin Ang, S. Karbasizadeh, I. Abdolhosseini Sarsari, and M. Ghergherehchi. "Two-dimensional Dirac half-metal in porous carbon nitride C6N7 monolayer via atomic doping." Nanotechnology 33, no. 7 (November 25, 2021): 075707. http://dx.doi.org/10.1088/1361-6528/ac31e7.

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Abstract Motivated by the recent experimental discovery of C6N7 monolayer (Zhao et al 2021 Science Bulletin 66, 1764), we show that C6N7 monolayer co-doped with C atom is a Dirac half-metal by employing first-principle density functional theory calculations. The structural, mechanical, electronic and magnetic properties of the co-doped C6N7 are investigated by both the PBE and HSE06 functionals. Pristine C6N7 monolayer is a semiconductor with almost isotropic electronic dispersion around the Γ point. As the doping of the C6N7 takes place, the substitution of an N atom with a C atom transforms the monolayer into a dilute magnetic semiconductor, with the spin-up channel showing a band gap of 2.3 eV, while the spin-down channel exhibits a semimetallic phase with multiple Dirac points. The thermodynamic stability of the system is also checked out via AIMD simulations, showing the monolayer to be free of distortion at 500 K. The emergence of Dirac half-metal in carbon nitride monolayer via atomic doping reveals an exciting material platform for designing novel nanoelectronics and spintronics devices.
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9

Baidak, Semyon T., and Alexey V. Lukoyanov. "Semimetallic, Half-Metallic, Semiconducting, and Metallic States in Gd-Sb Compounds." International Journal of Molecular Sciences 24, no. 10 (May 15, 2023): 8778. http://dx.doi.org/10.3390/ijms24108778.

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The electronic and band structures of the Gd- and Sb-based intermetallic materials have been explored using the theoretical ab initio approach, accounting for strong electron correlations of the Gd-4f electrons. Some of these compounds are being actively investigated because of topological features in these quantum materials. Five compounds were investigated theoretically in this work to demonstrate the variety of electronic properties in the Gd-Sb-based family: GdSb, GdNiSb, Gd4Sb3, GdSbS2O, and GdSb2. The GdSb compound is a semimetal with the topological nonsymmetric electron pocket along the high-symmetry points Γ–X–W, and hole pockets along the L–Γ–X path. Our calculations show that the addition of nickel to the system results in the energy gap, and we obtained a semiconductor with indirect gap of 0.38 eV for the GdNiSb intermetallic compound. However, a quite different electronic structure has been found in the chemical composition Gd4Sb3; this compound is a half-metal with the energy gap of 0.67 eV only in the minority spin projection. The molecular GdSbS2O compound with S and O in it is found to be a semiconductor with a small indirect gap. The GdSb2 intermetallic compound is found to have a metallic state in the electronic structure; remarkably, the band structure of GdSb2 has a Dirac-cone-like feature near the Fermi energy between high-symmetry points Г and S, and these two Dirac cones are split by spin-orbit coupling. Thus, studying the electronic and band structure of several reported and new Gd-Sb compounds revealed a variety of the semimetallic, half-metallic, semiconducting, or metallic states, as well topological features in some of them. The latter can lead to outstanding transport and magnetic properties, such as a large magnetoresistance, which makes Gd-Sb-based materials very promising for applications.
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10

Lin, Yuxuan, Qiong Ma, Pin-Chun Shen, Batyr Ilyas, Yaqing Bie, Albert Liao, Emre Ergeçen, et al. "Asymmetric hot-carrier thermalization and broadband photoresponse in graphene-2D semiconductor lateral heterojunctions." Science Advances 5, no. 6 (June 2019): eaav1493. http://dx.doi.org/10.1126/sciadv.aav1493.

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The massless Dirac electron transport in graphene has led to a variety of unique light-matter interaction phenomena, which promise many novel optoelectronic applications. Most of the effects are only accessible by breaking the spatial symmetry, through introducing edges, p-n junctions, or heterogeneous interfaces. The recent development of direct synthesis of lateral heterostructures offers new opportunities to achieve the desired asymmetry. As a proof of concept, we study the photothermoelectric effect in an asymmetric lateral heterojunction between the Dirac semimetallic monolayer graphene and the parabolic semiconducting monolayer MoS2. Very different hot-carrier cooling mechanisms on the graphene and the MoS2 sides allow us to resolve the asymmetric thermalization pathways of photoinduced hot carriers spatially with electrostatic gate tunability. We also demonstrate the potential of graphene-2D semiconductor lateral heterojunctions as broadband infrared photodetectors. The proposed structure shows an extreme in-plane asymmetry and provides a new platform to study light-matter interactions in low-dimensional systems.
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11

Lu, Wei, Xiaoming Song, Jiwei Ling, Zipu Fan, Junchao Ma, Xiao Zhuo, Jing Liu, Xiaodong Hu, Faxian Xiu, and Dong Sun. "Coherent diffraction rings induced by thermal–mechanical effect of a flexible Dirac semimetallic composite structure." Journal of Applied Physics 129, no. 9 (March 7, 2021): 093102. http://dx.doi.org/10.1063/5.0035647.

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12

Kang, Joon Sang, Dung Vu, and Joseph P. Heremans. "Identifying the Dirac point composition in Bi1−xSbx alloys using the temperature dependence of quantum oscillations." Journal of Applied Physics 130, no. 22 (December 14, 2021): 225106. http://dx.doi.org/10.1063/5.0068312.

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The thermal chiral anomaly is a new mechanism for thermal transport that occurs in Weyl semimetals (WSMs). It is attributed to the generation and annihilation of energy at Weyl points of opposite chirality. The effect was observed in the Bi1− xSb x alloy system, at x = 11% and 15%, which are topological insulators at zero field and driven into an ideal WSM phase by an external field. Given that the experimental uncertainty on x is of the order of 1%, any systematic study of the effect over a wider range of x requires precise knowledge of the transition composition xc at which the electronic bands at the L-point in these alloys have Dirac-like dispersions. At x > xc, the L-point bands are inverted and become topologically non-trivial. In the presence of a magnetic field along the trigonal direction, these alloys become WSMs. This paper describes how the temperature dependence of the frequency of the Shubnikov–de Haas oscillations F( x,T) at temperatures of the order of the cyclotron energy can be used to find xc and characterize the topology of the electronic Fermi surface. Semimetallic Bi1−xSbx alloys with topologically trivial bands have dF( x,T) /dT ≥ 0; those with Dirac/Weyl fermions display dF( x,T) /dT < 0.
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13

Marbouh, N., M. Driss Khodja, A. Boudali, S. Chibani, and A. Bentayeb. "Structural, mechanical, electronic structure and thermoelectric properties of Dirac semimetallic SrIrO3 compound: A first-principles study." Computational Condensed Matter 21 (December 2019): e00420. http://dx.doi.org/10.1016/j.cocom.2019.e00420.

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14

Chen, Xin, Adrien Bouhon, Linyang Li, François M. Peeters, and Biplab Sanyal. "PAI-graphene: A new topological semimetallic two-dimensional carbon allotrope with highly tunable anisotropic Dirac cones." Carbon 170 (December 2020): 477–86. http://dx.doi.org/10.1016/j.carbon.2020.08.012.

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15

Fu, Lei, Debo Hu, Rafael G. Mendes, Mark H. Rümmeli, Qing Dai, Bin Wu, Lei Fu, and Yunqi Liu. "Highly Organized Epitaxy of Dirac Semimetallic PtTe2 Crystals with Extrahigh Conductivity and Visible Surface Plasmons at Edges." ACS Nano 12, no. 9 (August 27, 2018): 9405–11. http://dx.doi.org/10.1021/acsnano.8b04540.

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16

Tateishi, Ikuma, Xiaoni Zhang, and Iwao Matsuda. "Electronic Structures of Polymorphic Layers of Borophane." Molecules 27, no. 6 (March 10, 2022): 1808. http://dx.doi.org/10.3390/molecules27061808.

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The search for free-standing 2D materials has been one of the most important subjects in the field of studies on 2D materials and their applications. Recently, a free-standing monolayer of hydrogenated boron (HB) sheet has been synthesized by hydrogenation of borophene. The HB sheet is also called borophane, and its application is actively studied in many aspects. Here, we review recent studies on the electronic structures of polymorphic sheets of borophane. A hydrogenated boron sheet with a hexagonal boron frame was shown to have a semimetallic electronic structure by experimental and theoretical analyses. A tight-binding model that reproduces the electronic structure was given and it allows easy estimation of the properties of the material. Hydrogenated boron sheets with more complicated nonsymmorphic boron frames were also analyzed. Using the symmetry restrictions from the nonsymmorphic symmetry and the filling factor of hydrogenated boron sheets, the existence of a Dirac nodal line was suggested. These studies provide basic insights for research on and device applications of hydrogenated boron sheets.
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17

Creange, Nicole, Costel Constantin, Jian-Xin Zhu, Alexander V. Balatsky, and Jason T. Haraldsen. "Computational Investigation of the Electronic and Optical Properties of Planar Ga-Doped Graphene." Advances in Condensed Matter Physics 2015 (2015): 1–7. http://dx.doi.org/10.1155/2015/635019.

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We simulate the optical and electrical responses in gallium-doped graphene. Using density functional theory with a local density approximation, we simulate the electronic band structure and show the effects of impurity doping (0–3.91%) in graphene on the electron density, refractive index, optical conductivity, and extinction coefficient for each doping percentage. Here, gallium atoms are placed randomly (using a 5-point average) throughout a 128-atom sheet of graphene. These calculations demonstrate the effects of hole doping due to direct atomic substitution, where it is found that a disruption in the electronic structure and electron density for small doping levels is due to impurity scattering of the electrons. However, the system continues to produce metallic or semimetallic behavior with increasing doping levels. These calculations are compared to a purely theoretical 100% Ga sheet for comparison of conductivity. Furthermore, we examine the change in the electronic band structure, where the introduction of gallium electronic bands produces a shift in the electron bands and dissolves the characteristic Dirac cone within graphene, which leads to better electron mobility.
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18

Pang, Qing, Long Li, Lin-li Zhang, Chun-ling Zhang, and Yu-ling Song. "Functionalization of germanene by metal atoms adsorption: A first-principles study." Canadian Journal of Physics 93, no. 11 (November 2015): 1310–18. http://dx.doi.org/10.1139/cjp-2015-0206.

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First-principles calculations were performed to study the adsorption characteristics of 15 different metal atoms on germanene. For the alkali metal adatoms (Li, Na, and K) on germanene, the bonding is approximately ideal ionic and the semimetallic germanene finally becomes metallic with a small band gap opening at the Dirac point. The bonding of alkaline earth metal atoms (Be, Mg, and Ca) to germanene is a mixture of ionic and covalent. The Be and Mg adsorptions lead to semiconducting behavior in germanene, while similar to Li, Na, and K adsorptions, the Ca adsorbed germanene is metallic. For most transition metal adatoms, a strong covalent bonding behavior is found between the adatom and germanene layer, which causes much larger distortions in the germanene lattice. As a result of partially occupied d orbital, the transition metals show also diverse electronic structures when interacting with germanene, such as nonmagnetic metal, nonmagnetic semiconductor, ferromagnetic metal, ferromagnetic semiconductor, and more particularly, ferromagnetic half-metal. In addition, the analysis of the partial density of states indicates that the ferromagnetic property of the obtained transition metal – germanene systems mainly results from the spin-split of the adatom 3d states. The rich electronic and magnetic properties of metal–germanene systems may have potential applications for designing new nanoscale electronic and spintronic devices.
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19

Cai, Yusheng, Yi Wei, Cuihong Lv, Lichuan Zhang, and Yuanping Chen. "LC567: a new 2D semimetallic carbon allotrope as a promising anode material for lithium-ion batteries." Physical Chemistry Chemical Physics, 2023. http://dx.doi.org/10.1039/d3cp01640d.

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20

Zhou, Xiang-Feng, Xiao Dong, Artem R. Oganov, Qiang Zhu, Yongjun Tian, and Hui-Tian Wang. "Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions." Physical Review Letters 112, no. 8 (February 26, 2014). http://dx.doi.org/10.1103/physrevlett.112.085502.

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21

Li, Chang-An. "Topological States in Two-Dimensional Su-Schrieffer-Heeger Models." Frontiers in Physics 10 (March 16, 2022). http://dx.doi.org/10.3389/fphy.2022.861242.

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We study the topological properties of the generalized two-dimensional (2D) Su-Schrieffer-Heeger (SSH) models. We show that a pair of Dirac points appear in the Brillouin zone (BZ), consisting a semimetallic phase. Interestingly, the locations of these Dirac points are not pinned to any high-symmetry points of the BZ but tunable by model parameters. Moreover, the merging of two Dirac points undergoes a novel topological phase transition, which leads to either a weak topological insulator or a nodal-line metallic phase. We demonstrate these properties by constructing two specific models, which we referred as type-I and type-II 2D SSH models. The feasible experimental platforms to realize our models are also discussed.
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22

Facio, Jorge I., Elisabetta Nocerino, Ion Cosma Fulga, Rafal Wawrzynczak, Joanna Brown, Genda Gu, Qiang Li, et al. "Engineering a pure Dirac regime in ZrTe$_5$." SciPost Physics 14, no. 4 (April 11, 2023). http://dx.doi.org/10.21468/scipostphys.14.4.066.

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Real-world topological semimetals typically exhibit Dirac and Weyl nodes that coexist with trivial Fermi pockets. This tends to mask the physics of the relativistic quasiparticles. Using the example of ZrTe_55, we show that strain provides a powerful tool for in-situ tuning of the band structure such that all trivial pockets are pushed far away from the Fermi energy, but only for a certain range of Van der Waals gaps. Our results naturally reconcile contradicting reports on the presence or absence of additional pockets in ZrTe_55, and provide a clear map of where to find a pure three-dimensional Dirac semimetallic phase in the structural parameter space of the material.
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Sánchez-Ochoa, Francisco, Alberto Rubio-Ponce, and Florentino López-Urías. "Pressure-induced reentrant Dirac semimetallic phases in twisted bilayer graphene." Physical Review B 107, no. 4 (January 13, 2023). http://dx.doi.org/10.1103/physrevb.107.045414.

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24

Wang, Shuaiwei, and Bingjun Shi. "Auxetic ographene: a new 2D Dirac nodal-ring semimetal carbon-base materials with high negative Poisson’s ratio." Physical Chemistry Chemical Physics, 2022. http://dx.doi.org/10.1039/d2cp01469f.

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Auxetic and semimetallic materials possess many advanced applications due to the negative Poisson’s ratio (NPR) effect and unique electronic properties. However, the candidates with the above properties are rather scarce...
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25

Hlevyack, Joseph A., Liang-Ying Feng, Meng-Kai Lin, Rovi Angelo B. Villaos, Ro-Ya Liu, Peng Chen, Yao Li, Sung-Kwan Mo, Feng-Chuan Chuang, and T. C. Chiang. "Dimensional crossover and band topology evolution in ultrathin semimetallic NiTe2 films." npj 2D Materials and Applications 5, no. 1 (April 12, 2021). http://dx.doi.org/10.1038/s41699-021-00218-z.

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AbstractNickel ditelluride (NiTe2), a recently discovered Type-II Dirac semimetal with topological Dirac fermions near the Fermi energy, is expected to exhibit strong thickness-mediated electronic tunability and intrinsic two-gap superconductivity in the single-layer limit. Realizing such intriguing phenomena requires the fabrication of ultrathin NiTe2 films and an understanding of the underlying physics that is still under debate. By conducting experimental band mappings of ultrathin films prepared with molecular beam epitaxy, we reveal spectroscopic evidence for the dimensionality crossover of single-crystalline ultrathin NiTe2 films as a function of film thickness. As the film thickness increases from one to five layers, the gap in the conical topological surface states closes. Comparisons of experimental to first-principles results also highlight difficulties in fabricating atomically smooth single-layer NiTe2 films. Our results not only provide further impetus for studying emergent phenomena in NiTe2 but also underscore the limitations of fabricating NiTe2 films for device applications.
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26

Lu, Wei, Zipu Fan, Yunkun Yang, Junchao Ma, Jiawei Lai, Xiaoming Song, Xiao Zhuo, et al. "Ultrafast photothermoelectric effect in Dirac semimetallic Cd3As2 revealed by terahertz emission." Nature Communications 13, no. 1 (March 25, 2022). http://dx.doi.org/10.1038/s41467-022-29168-w.

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AbstractThe thermoelectric effects of topological semimetals have attracted tremendous research interest because many topological semimetals are excellent thermoelectric materials and thermoelectricity serves as one of their most important potential applications. In this work, we reveal the transient photothermoelectric response of Dirac semimetallic Cd3As2, namely the photo-Seebeck effect and photo-Nernst effect, by studying the terahertz (THz) emission from the transient photocurrent induced by these effects. Our excitation polarization and power dependence confirm that the observed THz emission is due to photothermoelectric effect instead of other nonlinear optical effect. Furthermore, when a weak magnetic field (~0.4 T) is applied, the response clearly indicates an order of magnitude enhancement on transient photothermoelectric current generation compared to the photo-Seebeck effect. Such enhancement supports an ambipolar transport nature of the photo-Nernst current generation in Cd3As2. These results highlight the enhancement of thermoelectric performance can be achieved in topological Dirac semimetals based on the Nernst effect, and our transient studies pave the way for thermoelectric devices applicable for high field circumstance when nonequilibrium state matters. The large THz emission due to highly efficient photothermoelectric conversion is comparable to conventional semiconductors through optical rectification and photo-Dember effect.
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27

Ghosh, Sudeep K., P. K. Biswas, Chunqiang Xu, B. Li, J. Z. Zhao, A. D. Hillier, and Xiaofeng Xu. "Time-reversal symmetry breaking superconductivity in three-dimensional Dirac semimetallic silicides." Physical Review Research 4, no. 1 (March 15, 2022). http://dx.doi.org/10.1103/physrevresearch.4.l012031.

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28

Park, H. J., Byung Cheol Park, Min-Cheol Lee, D. W. Jeong, Joonbum Park, Jun Sung Kim, Hyo Seok Ji, et al. "Electrodynamic properties of the semimetallic Dirac materialSrMnBi2: Two-carrier-model analysis." Physical Review B 96, no. 15 (October 26, 2017). http://dx.doi.org/10.1103/physrevb.96.155139.

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29

Zheng, Wenkai, Rico Schönemann, Shirin Mozaffari, Yu-Che Chiu, Zachary Bryce Goraum, Niraj Aryal, Efstratios Manousakis, Theo M. Siegrist, Kaya Wei, and Luis Balicas. "Bulk Fermi surfaces of the Dirac type-II semimetallic candidate NiTe2." Physical Review B 102, no. 12 (September 3, 2020). http://dx.doi.org/10.1103/physrevb.102.125103.

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30

Lv, Qianqian, Pei-Hao Fu, Xiang-Long Yu, Jun-Feng Liu, and Jiansheng Wu. "Electrically controlled spin polarized current in Dirac semimetals." Scientific Reports 11, no. 1 (November 2, 2021). http://dx.doi.org/10.1038/s41598-021-01067-y.

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AbstractWe propose a highly tunable $$100\%$$ 100 % spin-polarized current generated in a spintronic device based on a Dirac semimetal (DSM) under a magnetic field, which can be achieved merely by controlling electrical parameters, i.e. the gate voltage, the chemical potential in the lead and the coupling strength between the leads and the DSM. These parameters are all related to the special properties of a semimetal. The spin polarized current generated by gate voltage is guaranteed by its semimetallic feature, because of which the density of state vanishes near Dirac nodes. The barrier controlled current results from the different distance of Weyl nodes generated by the Zeeman field. And the coupling strength controlled spin polarized current originates from the surface Fermi arcs. This DSM-based spintronic device is expected to be realized in $$\hbox {Cd}_{3}\hbox {As}_{2}$$ Cd 3 As 2 experimentally.
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31

Alvarez, Jean P., David Gordon, Jack Howard, Joshua Steier, Kalani Hettiarachchilage, and Neel Haldolaarachchige. "Remarkable Topological Features of Electronic Band Dispersion of IrGa and RhGa Compounds from First Principles." Journal of Undergraduate Reports in Physics 32, no. 1 (January 1, 2022). http://dx.doi.org/10.1063/10.0020902.

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Exotic behavior of linearly dispersed electronic bands near the Fermi level implies advanced physical properties in a material. In this paper, we present an ab initio study of the electronic properties of IrGa and RhGa, with and without spin-orbit interaction, using first-principles calculations. Linearly dispersed band crossings, reminiscent of topological semimetallic band structures, were identified near the Fermi energy. These include type-I and type-II Dirac points and nodal lines. By applying compressive and tensile stress to the lattice along x, y, and z, the response to the band structure near the Fermi level has been studied.
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Zhang, Boyuan, Nobuya Maeshima, and Ken-ichi Hino. "Edge states of Floquet–Dirac semimetal in a laser-driven semiconductor quantum-well." Scientific Reports 11, no. 1 (February 3, 2021). http://dx.doi.org/10.1038/s41598-021-82230-3.

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AbstractBand crossings observed in a wide range of condensed matter systems are recognized as a key to understand low-energy fermionic excitations that behave as massless Dirac particles. Despite rapid progress in this field, the exploration of non-equilibrium topological states remains scarce and it has potential ability of providing a new platform to create unexpected massless Dirac states. Here we show that in a semiconductor quantum-well driven by a cw-laser with linear polarization, the optical Stark effect conducts bulk-band crossing, and the resulting Floquet-Dirac semimetallic phase supports an unconventional edge state in the projected one-dimensional Brillouin zone under a boundary condition that an electron is confined in the direction perpendicular to that of the laser polarization. Further, we reveal that this edge state mediates a transition between topological and non-topological edge states that is caused by tuning the laser intensity. We also show that the properties of the edge states are strikingly changed under a different boundary condition. It is found that such difference originates from that nearly fourfold-degenerate points exist in a certain intermediate region of the bulk Brillouin zone between high-symmetry points.
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33

Liu, Z. T., M. Y. Li, Q. F. Li, J. S. Liu, W. Li, H. F. Yang, Q. Yao, et al. "Direct observation of the Dirac nodes lifting in semimetallic perovskite SrIrO3 thin films." Scientific Reports 6, no. 1 (July 2016). http://dx.doi.org/10.1038/srep30309.

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34

Fujioka, J., T. Okawa, A. Yamamoto, and Y. Tokura. "Correlated Dirac semimetallic state with unusual positive magnetoresistance in strain-free perovskite SrIrO3." Physical Review B 95, no. 12 (March 3, 2017). http://dx.doi.org/10.1103/physrevb.95.121102.

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35

Anemone, Gloria, Pablo Casado Aguilar, Manuela Garnica, Fabian Calleja, Amjad Al Taleb, Chia-Nung Kuo, Chin Shan Lue, et al. "Electron–phonon coupling in superconducting 1T-PdTe2." npj 2D Materials and Applications 5, no. 1 (February 23, 2021). http://dx.doi.org/10.1038/s41699-021-00204-5.

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AbstractWe have determined the electron–phonon interaction in type II Dirac semimetallic 1T-PdTe2 by means of helium atom scattering. While 1T-PdTe2 is isostructural with 1T-PtTe2, only the former is superconductor. The difference can be traced to the substantially larger value of the electron–phonon coupling in 1T-PdTe2, λ = 0.58, obtained from the Debye-Waller attenuation of the He specular peak. With this value and the surface Debye temperature, ΘD = 106.2 K, we have figured out the superconducting critical temperature, Tc = 1.83 K given by the BCS theory, which is in good agreement with Tc = (1.95 ± 0.03) K obtained with low-temperature scanning tunneling microscopy. The value of the effective mass related to ΘD indicates that the large electron–phonon coupling in 1T-PdTe2 is due to coupling, not only with the zone-center optical mode O2 at 9.2 meV, as proposed in a recent theoretical study, but also with the zone-boundary acoustic mode LA. Our results suggest that the topological states of a Dirac cone play a negligible role on the onset of superconductivity.
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36

Shende, Aditya, Shivendra Kumar Gupta, Devesh Kale, and Poorva Singh. "First-principles prediction of topological Dirac semimetallic phase in NaHgX (X= As and Bi)." Physics Letters A, May 2023, 128937. http://dx.doi.org/10.1016/j.physleta.2023.128937.

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37

Jang, Chan Wook, Yusuff Adeyemi Salawu, Jin Hee Kim, Van Quang Nguyen, Min Seop Kim, Sang‐Eon Lee, Hyebin Son, et al. "2D Weyl‐Semimetal States Achieved by a Thickness‐Dependent Crossover and Topological Phase Transition in Bi0.96Sb0.04 Thin Films." Advanced Functional Materials, August 30, 2023. http://dx.doi.org/10.1002/adfm.202305179.

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AbstractDespite theoretical expectations for 2D Weyl semimetals (WSMs), realizing stable 2D topological semimetal states experimentally is currently a great challenge. Here, 2D WSM states achieved by a thickness‐dependent topological phase transition from 3D Dirac semimetal to 2D WSM in molecular‐beam‐epitaxy‐grown Bi0.96Sb0.04 thin films are reported. 2D weak anti‐localization (WAL) and chiral anomaly arise in the Bi0.96Sb0.04 films for thicknesses below ≈10 nm, supporting 2D Weyl semimetallic transport in the films. This is particularly evident from magnetoresistance (MR) measurements which show cusp structures at around B = 0, indicating WAL, and negative MR, typical of chiral anomaly, only for layers with thicknesses below ≈10 nm. The temperature dependencies of the dephasing length for various thicknesses are consistent with those of the MR. Analysis based on second harmonic generation, terahertz emission, Seebeck/Hall effects, Raman scattering, X‐ray diffraction, and X‐ray photoemission demonstrates that the Dirac‐ to Weyl‐semimetal phase transition for films thinner than ≈10 nm is induced by inversion‐symmetry breaking due to the lattice‐mismatch strain between the Bi0.96Sb0.04 film and substrate. The realization of 2D WSMs is particularly significant for applications in high‐speed electronics, spintronics, and quantum computations due to their high mobility, chiral spin, and topologically‐protected quantum qubits.
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38

Liu, Jian, D. Kriegner, L. Horak, D. Puggioni, C. Rayan Serrao, R. Chen, D. Yi, et al. "Strain-induced nonsymmorphic symmetry breaking and removal of Dirac semimetallic nodal line in an orthoperovskite iridate." Physical Review B 93, no. 8 (February 11, 2016). http://dx.doi.org/10.1103/physrevb.93.085118.

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39

Zhang, Qiang, Satoshi Okamoto, Matthew B. Stone, Jinyu Liu, Yanglin Zhu, John DiTusa, Zhiqiang Mao, and David Alan Tennant. "Influence of magnetism on Dirac semimetallic behavior in nonstoichiometric Sr1−yMn1−zSb2(y∼0.07,z∼0.02)." Physical Review B 100, no. 20 (November 5, 2019). http://dx.doi.org/10.1103/physrevb.100.205105.

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40

Zheng, W., R. Schönemann, N. Aryal, Q. Zhou, D. Rhodes, Y. C. Chiu, K. W. Chen, et al. "Detailed study of the Fermi surfaces of the type-II Dirac semimetallic candidates XTe2 ( X =Pd, Pt)." Physical Review B 97, no. 23 (June 29, 2018). http://dx.doi.org/10.1103/physrevb.97.235154.

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41

Chen, K. W., X. Lian, Y. Lai, N. Aryal, Y. C. Chiu, W. Lan, D. Graf, E. Manousakis, R. E. Baumbach, and L. Balicas. "Bulk Fermi Surfaces of the Dirac Type-II Semimetallic Candidates MAl3 (Where M=V , Nb, and Ta)." Physical Review Letters 120, no. 20 (May 15, 2018). http://dx.doi.org/10.1103/physrevlett.120.206401.

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42

Pizarro, José M., Severino Adler, Karim Zantout, Thomas Mertz, Paolo Barone, Roser Valentí, Giorgio Sangiovanni, and Tim O. Wehling. "Deconfinement of Mott localized electrons into topological and spin–orbit-coupled Dirac fermions." npj Quantum Materials 5, no. 1 (November 2, 2020). http://dx.doi.org/10.1038/s41535-020-00277-3.

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Abstract The interplay of electronic correlations, spin–orbit coupling and topology holds promise for the realization of exotic states of quantum matter. Models of strongly interacting electrons on honeycomb lattices have revealed rich phase diagrams featuring unconventional quantum states including chiral superconductivity and correlated quantum spin Hall insulators intertwining with complex magnetic order. Material realizations of these electronic states are, however, scarce or inexistent. In this work, we propose and show that stacking 1T-TaSe2 into bilayers can deconfine electrons from a deep Mott insulating state in the monolayer to a system of correlated Dirac fermions subject to sizable spin–orbit coupling in the bilayer. 1T-TaSe2 develops a Star-of-David charge density wave pattern in each layer. When the Star-of-David centers belonging to two adyacent layers are stacked in a honeycomb pattern, the system realizes a generalized Kane–Mele–Hubbard model in a regime where Dirac semimetallic states are subject to significant Mott–Hubbard interactions and spin–orbit coupling. At charge neutrality, the system is close to a quantum phase transition between a quantum spin Hall and an antiferromagnetic insulator. We identify a perpendicular electric field and the twisting angle as two knobs to control topology and spin–orbit coupling in the system. Their combination can drive it across hitherto unexplored grounds of correlated electron physics, including a quantum tricritical point and an exotic first-order topological phase transition.
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43

Lleopart, Genis, Miquel Lopez-Suarez, Iberio de P. R. Moreira, and Stefan T. Bromley. "How graphenic are graphynes? Evidence for low-lying correlated gapped states in graphynes." Journal of Chemical Physics, November 14, 2022. http://dx.doi.org/10.1063/5.0125637.

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Graphynes can be structurally envisioned as 2D extensions to graphene whereby linearly bonded carbon linkages increase the distance between trigonal carbon nodes. Many graphynes have been predicted to exhibit a Dirac-like semimetallic (SEM) graphenic electronic structure which could potentially make them competitive with graphene for applications. Currently, most graphynes remain as attractive synthetic targets and their properties are still unconfirmed. Here, we demonstrate that the electronic structure of hexagonal α-graphyne is analogous to that of biaxially strained graphene. By comparison with accurate quantum Monte Carlo results, we show that the relative energetic stability of electronic states in this correlated 2D system can be captured by density functional theory (DFT) calculations using carefully tailored hybrid functionals. Our tuned DFT approach confirms that α-graphyne has a low energy correlated Mott-like antiferromagnetic insulating (AFI) state, which competes with the SEM state. Our work also shows the AFI-SEM crossover in α-graphyne could be tunable by in-plane biaxial strain. Applying our method to other graphynes shows that they also exhibit correlated AF states which could be dominant even at zero strain. Overall, our work strongly suggests that graphynes are not as graphenic (i.e. Dirac-like) as often previously predicted by DFT calculations using standard generalised gradient approximation functionals. However, due to their greater electronic versatility (e.g. tunable semiconducting band gaps, accessible spin polarised states) graphynes could have novel device applications which are complementary to those of graphene.
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