Large insulating gap in topological insulators induced by negative spin-orbit splitting

Vidal, Julien; Zhang, Xiuwen; Stevanović, Vladan; Luo, Jun-Wei; Zunger, Alex

doi:10.1103/PhysRevB.86.075316

Title: Large insulating gap in topological insulators induced by negative spin-orbit splitting

Journal Article · Wed Aug 01 00:00:00 EDT 2012 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.86.075316· OSTI ID:1382221

Vidal, Julien; Zhang, Xiuwen; Stevanović, Vladan; Luo, Jun-Wei; Zunger, Alex

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Inverse Design (CID)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: AC36-08GO28308

OSTI ID:: 1382221

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 86, Issue 7; Related Information: CID partners with the National Renewable Energy Laboratory (lead); Colorado School of Mines; Northwestern University; Oregon State University; SLAC National Accelerator Laboratory; University of Colorado; ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (33)

Three-Dimensional Topological Insulators in $I − III − {VI}_{2}$ and $II − IV − V_{2}$ Chalcopyrite Semiconductors Feng, Wanxiang; Xiao, Di; Ding, Jun Physical Review Letters, Vol. 106, Issue 1 https://doi.org/10.1103/PhysRevLett.106.016402	journal	January 2011
Topological insulators and superconductors Qi, Xiao-Liang; Zhang, Shou-Cheng Reviews of Modern Physics, Vol. 83, Issue 4 https://doi.org/10.1103/RevModPhys.83.1057	journal	October 2011
Bulk Band Gap and Surface State Conduction Observed in Voltage-Tuned Crystals of the Topological Insulator ${Bi}_{2} {Se}_{3}$ Checkelsky, J. G.; Hor, Y. S.; Cava, R. J. Physical Review Letters, Vol. 106, Issue 19 https://doi.org/10.1103/PhysRevLett.106.196801	journal	May 2011
The birth of topological insulators Moore, Joel E. Nature, Vol. 464, Issue 7286 https://doi.org/10.1038/nature08916	journal	March 2010
Fine structure in the optical absorption edge of anisotropic crystals Hopfdeld, J. J. Journal of Physics and Chemistry of Solids, Vol. 15, Issue 1-2 https://doi.org/10.1016/0022-3697(60)90105-0	journal	August 1960
Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120 Desclaux, J. P. Atomic Data and Nuclear Data Tables, Vol. 12, Issue 4 https://doi.org/10.1016/0092-640X(73)90020-X	journal	January 1973
Mott physics and band topology in materials with strong spin–orbit interaction Pesin, Dmytro; Balents, Leon Nature Physics, Vol. 6, Issue 5 https://doi.org/10.1038/nphys1606	journal	March 2010
Topological electronic structure in half-Heusler topological insulators Al-Sawai, W.; Lin, Hsin; Markiewicz, R. S. Physical Review B, Vol. 82, Issue 12 https://doi.org/10.1103/PhysRevB.82.125208	journal	September 2010
Colloquium: Topological insulators Hasan, M. Z.; Kane, C. L. Reviews of Modern Physics, Vol. 82, Issue 4, p. 3045-3067 https://doi.org/10.1103/RevModPhys.82.3045	journal	November 2010
Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells Bernevig, B. A.; Hughes, T. L.; Zhang, S.-C. Science, Vol. 314, Issue 5806, p. 1757-1761 https://doi.org/10.1126/science.1133734	journal	December 2006
False-positive and false-negative assignments of topological insulators in density functional theory and hybrids Vidal, J.; Zhang, X.; Yu, L. Physical Review B, Vol. 84, Issue 4 https://doi.org/10.1103/PhysRevB.84.041109	journal	July 2011
Spin-orbit projected d densities-of-states of Pd, Ag, Pt, and Au Christensen, N. E. Journal of Physics F: Metal Physics, Vol. 8, Issue 3 https://doi.org/10.1088/0305-4608/8/3/003	journal	March 1978
Tunable multifunctional topological insulators in ternary Heusler compounds Chadov, Stanislav; Qi, Xiaoliang; Kübler, Jürgen Nature Materials, Vol. 9, Issue 7 https://doi.org/10.1038/nmat2770	journal	May 2010
Metallic surface electronic state in half-Heusler compounds $R$ PtBi ( $R$ $=$ Lu, Dy, Gd) Liu, Chang; Lee, Yongbin; Kondo, Takeshi Physical Review B, Vol. 83, Issue 20 https://doi.org/10.1103/PhysRevB.83.205133	journal	May 2011
Electronic structure of LiZnN: Interstitial insertion rule Carlsson, A. E.; Zunger, Alex; Wood, D. M. Physical Review B, Vol. 32, Issue 2 https://doi.org/10.1103/PhysRevB.32.1386	journal	July 1985
Large bulk resistivity and surface quantum oscillations in the topological insulator ${Bi}_{2} {Te}_{2} Se$ Ren, Zhi; Taskin, A. A.; Sasaki, Satoshi Physical Review B, Vol. 82, Issue 24 https://doi.org/10.1103/PhysRevB.82.241306	journal	December 2010
Die ternären Nitride LiMgN und LiZnN. 16. Mitteilung über Metallamide und Metallnitride Juza, Robert; Hund, Franz Zeitschrift für anorganische Chemie, Vol. 257, Issue 1-3 https://doi.org/10.1002/zaac.19482570101	journal	August 1948
Half-Heusler ternary compounds as new multifunctional experimental platforms for topological quantum phenomena Lin, Hsin; Wray, L. Andrew; Xia, Yuqi Nature Materials, Vol. 9, Issue 7 https://doi.org/10.1038/nmat2771	journal	May 2010
Half-Heusler topological insulators: A first-principles study with the Tran-Blaha modified Becke-Johnson density functional Feng, Wanxiang; Xiao, Di; Zhang, Ying Physical Review B, Vol. 82, Issue 23 https://doi.org/10.1103/PhysRevB.82.235121	journal	December 2010
Comparative ab initio study of half-Heusler compounds for optoelectronic applications Gruhn, Thomas Physical Review B, Vol. 82, Issue 12 https://doi.org/10.1103/PhysRevB.82.125210	journal	September 2010
Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators Xiao, Di; Yao, Yugui; Feng, Wanxiang Physical Review Letters, Vol. 105, Issue 9 https://doi.org/10.1103/PhysRevLett.105.096404	journal	August 2010
Design Principles and Coupling Mechanisms in the 2D Quantum Well Topological Insulator $HgTe / CdTe$ Luo, Jun-Wei; Zunger, Alex Physical Review Letters, Vol. 105, Issue 17 https://doi.org/10.1103/PhysRevLett.105.176805	journal	October 2010
A brief introduction to the ABINIT software package Gonze, Xavier Zeitschrift für Kristallographie - Crystalline Materials, Vol. 220, Issue 5/6 https://doi.org/10.1524/zkri.220.5.558.65066	journal	January 2005
The exciton spectrum of zinc oxide Thomas, D. G. Journal of Physics and Chemistry of Solids, Vol. 15, Issue 1-2 https://doi.org/10.1016/0022-3697(60)90104-9	journal	August 1960
Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies Stevanović, Vladan; Lany, Stephan; Zhang, Xiuwen Physical Review B, Vol. 85, Issue 11 https://doi.org/10.1103/PhysRevB.85.115104	journal	March 2012
Band structure engineering of multinary chalcogenide topological insulators Chen, Shiyou; Gong, X. G.; Duan, Chun-Gang Physical Review B, Vol. 83, Issue 24 https://doi.org/10.1103/PhysRevB.83.245202	journal	June 2011
The Nature of the Interatomic Forces in Metals Pauling, Linus Physical Review, Vol. 54, Issue 11 https://doi.org/10.1103/PhysRev.54.899	journal	December 1938
Effects of Electronic and Lattice Polarization on the Band Structure of Delafossite Transparent Conductive Oxides Vidal, Julien; Trani, Fabio; Bruneval, Fabien Physical Review Letters, Vol. 104, Issue 13 https://doi.org/10.1103/PhysRevLett.104.136401	journal	March 2010
Three-Dimensional Topological Insulators on the Pyrochlore Lattice Guo, H. -M.; Franz, M. Physical Review Letters, Vol. 103, Issue 20 https://doi.org/10.1103/PhysRevLett.103.206805	journal	November 2009
Electronic structure and phase stability of LiZnAs: A half ionic and half covalent tetrahedral semiconductor Wei, Su-Huai; Zunger, Alex Physical Review Letters, Vol. 56, Issue 5 https://doi.org/10.1103/PhysRevLett.56.528	journal	February 1986
Possible proximity of the Mott insulating iridate Na $_{2}$ IrO $_{3}$ to a topological phase: Phase diagram of the Heisenberg-Kitaev model in a magnetic field Jiang, Hong-Chen; Gu, Zheng-Cheng; Qi, Xiao-Liang Physical Review B, Vol. 83, Issue 24 https://doi.org/10.1103/PhysRevB.83.245104	journal	June 2011
Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates Wan, Xiangang; Turner, Ari M.; Vishwanath, Ashvin Physical Review B, Vol. 83, Issue 20 https://doi.org/10.1103/PhysRevB.83.205101	journal	May 2011
Optical Properties of the Silver and Cuprous Halides Cardona, Manuel Physical Review, Vol. 129, Issue 1 https://doi.org/10.1103/PhysRev.129.69	journal	January 1963

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