Graphene-like Dirac states and quantum spin Hall insulators in square-octagonal MX2 (M= Mo, W; X= S, Se, Te) isomers

Physical Review B - Condensed Matter and Materials Physics

Volumn 92, Issue 16, 2015, Pages

  Sun, Yan ^a   Felser, Claudia ^a   Yan, Binghai ^a,b,c,d  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

^b MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

^c SHANGHAITECH UNIVERSITY   (China)

^d INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84944790010     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.92.165421     Document Type: Article

References (31)

1. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov, Electric field effect in atomically thin carbon films, Science 306, 666 (2004). 10.1126/science.1102896
2. A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov, and A. K. Geim, The electronic properties of graphene, Rev. Mod. Phys. 81, 109 (2009). RMPHAT 0034-6861 10.1103/RevModPhys.81.109
3. A. Splendiani, L. Sun, Y. Zhang, T. Li, J. Kim, C.-Y. Chim, G. Galli, and F. Wang, Emerging photoluminescence in monolayer (Equation presented), Nano Lett. 10, 1271 (2010). NALEFD 1530-6984 10.1021/nl903868w
4. K. F. Mak, C. Lee, J. Hone, J. Shan, and T. F. Heinz, Atomically Thin (Equation presented): A New Direct-Gap Semiconductor, Phys. Rev. Lett. 105, 136805 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.105.136805
5. D. Xiao, G.-B. Liu, W. Feng, X. Xu, and W. Yao, Coupled Spin and Valley Physics in Monolayers of (Equation presented) and Other Group-VI Dichalcogenides, Phys. Rev. Lett. 108, 196802 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.196802
6. M. Z. Hasan and C. L. Kane, Colloquium: Topological insulators, Rev. Mod. Phys. 82, 3045 (2010). RMPHAT 0034-6861 10.1103/RevModPhys.82.3045
7. Xiao-Liang Qi and Shou-Cheng Zhang, Topological insulators and superconductors, Rev. Mod. Phys. 83, 1057 (2011). 10.1103/RevModPhys.83.1057
8. X. Qian, J. Liu, L. Fu, and J. Li, Quantum spin Hall effect in two-dimensional transition metal dichalcogenides, Science 346, 1344 (2014). 10.1126/science.1256815
9. Y. Xu, B. Yan, H.-J. Zhang, J. Wang, G. Xu, P. Tang, W. Duan, and S.-C. Zhang, Large-Gap Quantum Spin Hall Insulators in Tin Films, Phys. Rev. Lett. 111, 136804 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.111.136804
10. S.-C. Wu, G. Shan, and B. Yan, Prediction of Near-Room-Temperature Quantum Anomalous Hall Effect on Honeycomb Materials, Phys. Rev. Lett. 113, 256401 (2014). PRLTAO 0031-9007 10.1103/PhysRevLett.113.256401
11. H. Weng, X. Dai, and Z. Fang, Transition-metal pentatelluride (Equation presented) and (Equation presented): A paradigm for large-gap quantum spin Hall insulators, Phys. Rev. X 4, 011002 (2014). 10.1103/PhysRevX.4.011002
12. Weifeng Li, Meng Guo, Gang Zhang, and Yong-Wei Zhang, Gapless (Equation presented) allotrope possessing both massless Dirac and heavy fermions, Phys. Rev. B 89, 205402 (2014). PRBMDO 1098-0121 10.1103/PhysRevB.89.205402
13. H. Terrones and M. Terrones, Electronic and vibrational properties of defective transition metal dichalcogenide Haeckelites: New 2D semimetallic systems, 2D Mater. 1, 011003 (2014). 2053-1583 10.1088/2053-1583/1/1/011003
14. S. Najmaei, Z. Liu, W. Zhou, X. Zou, G. Shi, S. Lei, B. I. Yakobson, J.-C. Idrobo, P. M. Ajayan, and J. Lou, Vapour phase growth and grain boundary structure of molybdenum disulphide atomic layers, Nat. Mater. 12, 754 (2013). 1476-1122 10.1038/nmat3673
15. A. M. van der Zande, P. Y. Huang, D. A. Chenet, T. C. Berkelbach, Y. You, G.-H. Lee, T. F. Heinz, D. R. Reichman, D. A. Muller, and J. C. Hone, Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide, Nat. Mater. 12, 554 (2013). 1476-1122 10.1038/nmat3633
16. Z. Zhang, X. Zou, V. H. Crespi, and B. I. Yakobson, Intrinsic magnetism of grain boundaries in two-dimensional metal dichalcogenides, ACS Nano 7, 10475 (2013). 1936-0851 10.1021/nn4052887
17. G. Kresse and J. Hafner, Ab initio molecular dynamics for open-shell transition metals, Phys. Rev. B 48, 13115 (1993). PRBMDO 0163-1829 10.1103/PhysRevB.48.13115
18. G. Kresse and J. Furthmiiller, Efficiency of ab initio total-energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci. 6, 15 (1996). CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0
19. J. P. Perdew, K. Burke, and M. Ernzerho, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
20. N. Marzari and D. Vanderbilt, Maximally localized generalized Wannier functions for composite energy bands, Phys. Rev. B 56, 12847 (1997). PRBMDO 0163-1829 10.1103/PhysRevB.56.12847
21. I. Souza, N. Marzari, and D. Vanderbilt, Maximally localized Wannier functions for entangled energy bands, Phys. Rev. B 65, 035109 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.65.035109
22. A. A. Mostofi, J. R. Yates, Y. S. Lee, I. Souza, D. Vanderbilt, and N. Marzari, wannier90: A tool for obtaining maximally localized Wannier functions, Comput. Phys. Commun. 178, 685 (2008). CPHCBZ 0010-4655 10.1016/j.cpc.2007.11.016
23. C. Franchini, R. Kovik, M. Marsman, S. S. Murthy, J. He, C. Ederer, and G. Kresse, Maximally localized Wannier functions in (Equation presented) within PBE + U, hybrid functionals, and partially self-consistent GW: An efficient route to construct ab initio tight-binding parameters for eg perovskites, J. Phys.: Condens. Matter 24, 235602 (2012). JCOMEL 0953-8984 10.1088/0953-8984/24/23/235602
24. Liang Fu and C. L. Kane, Topological insulators with inversion symmetry, Phys. Rev. B 76, 045302 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.045302
25. B. Andrei Bernevig, Taylor L. Hughes, and Shou-Cheng Zhang, Quantum spin Hall effect and topological phase transition in HgTe quantum wells, Science 314, 1757 (2006). 10.1126/science.1133734
26. C. L. Kane and E. J. Mele, Quantum Spin Hall Effect in Graphene, Phys. Rev. Lett. 95, 226801 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.95.226801
27. K. Sun, H. Yao, E. Fradkin, and S. A. Kivelson, Topological Insulators and Nematic Phases From Spontaneous Symmetry Breaking in 2D Fermi Systems with a Quadratic Band Crossing, Phys. Rev. Lett. 103, 046811 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.046811
28. I. M. Lifshitz, Aomalies of electron characteristics of a metal in the high pressure region, J. Exptl. Theoret. Phys. (U.S.S.R.) 38, 1569 (1960)
29. I. M. Lifshitz, [Sov. Phys. JETP 11, 1130 (1960)].
30. S. M. Nie, Z. Song, H. Weng, and Z. Fang, Quantum spin Hall effect in two-dimensional transition-metal dichalcogenide haeckelites, Phys. Rev. B 91, 235434 (2015). PRBMDO 1098-0121 10.1103/PhysRevB.91.235434
31. Yandong Ma, Liangzhi Kou, Xiao Li, Ying Dai, Sean C. Smith, and Thomas Heine, Quantum spin Hall effect and topological phase transition in two-dimensional square transition-metal dichalcogenides, Phys. Rev. B 92, 085427 (2015). PRBMDO 1098-0121 10.1103/PhysRevB.92.085427