Prediction of a large-gap quantum-spin-Hall insulator: Diamond-like GaBi bilayer

Nano Research

Volumn 8, Issue 12, 2015, Pages 3823-3829

  Wang, Aizhu ^a,b   Du, Aijun ^b   Zhao, Mingwen ^a  

^a SHANDONG UNIVERSITY   (China)

^b QUEENSLAND UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

band inversion; first principles calculations; Rashba spin splitting; topological insulators; two dimensional cubic diamond like lattice

Indexed keywords

EID: 84942010828     PISSN: 19980124     EISSN: 19980000     Source Type: Journal    
DOI: 10.1007/s12274-015-0882-z     Document Type: Article

References (47)

1. Hasan, M. Z.; Kane, C. L. Colloquium: Topological insulators. Rev. Mod. Phys.2010, 82, 3045–3067.
2. Hasan, M. Z.; Moore, J. E. Three-dimensional topological insulators. Ann. Rev. Cond. Mat. Phys.2011, 2, 55–78.
3. Bernevig, B. A.; Hughes, T. L.; Zhang, S.-C. Quantum spin hall effect and topological phase transition in HgTe quantum wells. Science2006, 314, 1757–1761.
4. König, M.; Wiedmann, S.; Brüne, C.; Roth, A.; Buhmann, H.; Molenkamp, L. W.; Qi, X.-L.; Zhang, S.-C. Quantum spin hall insulator state in HgTe quantum wells. Science2007, 318, 766–770.
5. Hsieh, D.; Qian, D.; Wray, L.; Xia, Y.; Hor, Y. S.; Cava, R. J.; Hasan, M. Z. A topological Dirac insulator in a quantum spin hall phase. Nature2008, 452, 970–974.
6. 3. Science2009, 325, 178–181.
7. 3 with a single Dirac cone on the surface. Nat. Phys.2009, 5, 438–442.
8. 2 class of topological semiconductors. Phys. Rev. Lett.2010, 105, 036404.
9. 4. Phys. Rev. Lett.2012, 108, 116801.
10. Wang, Z. F.; Liu, Z.; Liu, F. Organic topological insulators in organometallic lattices. Nat. Commun.2013, 4, 1471.
11. Xiao, D.; Yao, Y. G.; Feng, W. X.; Wen, J.; Zhu, W. G.; Chen, X. Q.; Stocks, G. M.; Zhang, Z. Y. Half-heusler compounds as a new class of three-dimensional topological insulators. Phys. Rev. Lett.2010, 105, 096404.
12. Lin, H.; Wray, L. A.; Xia, Y. Q.; Xu, S. Y.; Jia, S.; Cava, R. J.; Bansil, A.; Hasan, M. Z. Half-heusler ternary compounds as new multifunctional experimental platforms for topological quantum phenomena. Nat. Mater.2010, 9, 546–549.
13. 2 topology in ultrathin Bi (111) films: A first-principles study. Phys. Rev. Lett.2011, 107, 136805.
14. Zhang, X.; Zhang, H. J.; Wang, J.; Felser, C.; Zhang, S.-C. Actinide topological insulator materials with strong interaction. Science2012, 335, 1464–1466.
15. Wang, Z. F.; Yao, M.-Y.; Ming, W. M.; Miao, L.; Zhu, F. F.; Liu, C. H.; Gao, C. L.; Qian, D.; Jia, J.-F.; Liu, F. Creation of helical dirac fermions by interfacing two gapped systems of ordinary fermions. Nat. Commun.2013, 4, 1384.
16. Yang, F.; Miao, L.; Wang, Z. F.; Yao, M.-Y.; Zhu, F. F.; Song, Y. R.; Wang, M.-X.; Xu, J.-P.; Fedorov, A. V.; Sun, Z. et al. Spatial and energy distribution of topological edge states in single Bi(111) bilayer. Phys. Rev. Lett.2012, 109, 016801.
17. Luo, W.; Xiang, H. J. Room temperature quantum spin hall insulators with a buckled square lattice. Nano Lett.2015, 15, 3230–3235.
18. Si, C.; Liu, J. W.; Xu, Y.; Wu, J.; Gu, B. L.; Duan, W. H. Functionalized germanene as a prototype of large-gap twodimensional topological insulators. Phys. Rev. B2014, 89, 115429.
19. Novoselov, K. S.; Fal’ ko, V. I.; Colombo, L.; Gellert, P. R.; Schwab, M. G.; Kim, K. A roadmap for graphene. Nature2012, 490, 192–200.
20. Vogt, P.; De Padova, P.; Quaresima, C.; Avila, J.; Frantzeskakis, E.; Asensio, M. C.; Resta, A.; Ealet, B.; Le Lay, G. Silicene: Compelling experimental evidence for graphenelike twodimensional silicon. Phys. Rev. Lett.2012, 108, 155501.
21. Liu, C. C.; Feng, W. X.; Yao, Y. G. Quantum spin hall effect in silicene and two-dimensional germanium. Phys. Rev. Lett.2011, 107, 076802.
22. Zhao, M. W.; Dong, W. Z.; Wang, A. Z. Two-dimensional carbon topological insulators superior to graphene. Sci. Rep.2013, 3, 3532.
23. Zhao, M. W.; Wang, A. Z.; Zhang, X. M. Half-metallicity of a kagome spin lattice: The case of a manganese bisdithiolene monolayer. Nanoscale2013, 5, 10404–10408.
24. Wang, Z. F.; Su, N. H.; Liu, F. Prediction of a twodimensional organic topological insulator. Nano Lett.2013, 13, 2842–2845.
25. Wang, A. Z.; Zhang, X. M.; Zhao, M. W. Topological insulator states in a honeycomb lattice of s-triazines. Nanoscale2014, 6, 11157–11162.
26. Khaliullin, R. Z.; Eshet, H.; Kühne, T. D.; Behler, J.; Parrinello, M. Nucleation mechanism for the direct graphiteto- diamond phase transition. Nat. Mater.2011, 10, 693–697.
27. Sofo, J. O.; Chaudhari, A. S.; Barber, G. D. Graphane: A two-dimensional hydrocarbon. Phys. Rev. B2007, 75, 153401.
28. Zhang, Z. H.; Zeng, X. C.; Guo, W. L. Fluorinating hexagonal boron nitride/graphene multilayers into hybrid diamondlike nanofilms with tunable energy gap. J. Phys. Chem. C2011, 115, 21678–21684.
29. De Marcillac, P.; Coron, N.; Dambier, G.; Leblanc, J.; Moalic, J. P. Experimental detection of a-particles from the radioactive decay of natural bismuth. Nature2003, 422, 876–878.
30. Zhang, H. B.; Freimuth, F.; Bihlmayer, G.; Blügel, S.; Mokrousov, Y. Topological phases of Bi (111) bilayer in an external exchange field. Phys. Rev. B2012, 86, 035104.
31. Kresse, G.; Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B1993, 47, 558–561.
32. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett.1996, 77, 3865–3868.
33. Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B1999, 59, 1758–1775.
34. Perdew, J. P. Density functional theory and the band gap problem. Int. J. Quantum Chem.1986, 30, 451.
35. Wang, X. P.; Zhao, M. W.; He, T.; Wang, Z. H.; Liu, X. D. Can cation vacancy defects induce room temperature ferromagnetism in GaN? Appl. Phys. Lett.2013, 102, 062411.
36. Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Erratum: “Hybrid functionals based on a screened coulomb potential” J. Chem. Phys.2003, 118, 8207.
37. Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Erratum: “Hybrid functionals based on a screened coulomb potential” J. Chem. Phys.2006, 124, 219906.
38. Alfè, D. PHON: A program to calculate phonons using the small displacement method. Comput. Phys. Commun.2009, 180, 2622–2633.
39. Ma, Y. D.; Li, X.; Kou, L. Z.; Yan, B. H.; Niu, C. W.; Dai, Y.; Heine, T. Two-dimensional inversion-asymmetric topological insulators in functionalized III-Bi bilayers. Phys. Rev. B2015, 91, 235306.
40. Li, L. Y.; Zhang, X. M.; Chen, X.; Zhao, M. W. Giant topological nontrivial band gaps in chloridized gallium bismuthide. Nano Lett.2015, 15, 1296–1301.
41. Bychkov, Y. A.; Rashba, É. I. Properties of a 2D electron gas with lifted spectral degeneracy. JETP Lett.1984, 39, 78.
42. Žutic, I.; Fabian, J.; Das Sarma, S. Spintronics: Fundamentals and applications. Rev. Mod. Phys.2004, 76, 323.
43. Son, Y.-W.; Cohen, M. L.; Louie, S. G. Energy gaps in graphene nanoribbons. Phys. Rev. Lett.2006, 97, 216803.
44. Xu, Y.; Yan, B. H; Zhang, H.-J.; Wang, J.; Xu, G.; Tang, P. Z; Duan, W. H; Zhang, S.-C. Large-gap quantum spin Hall insulators in tin films. Phys. Rev. Lett.2013, 111, 136804.
45. Niu, C. W.; Bihlmayer, G.; Zhang, H. B.; Wortmann, D.; Blügel, S.; Mokrousov, Y. Functionalized bismuth films: Giant gap quantum spin hall and valley-polarized quantum anomalous hall states. Phys. Rev. B2015, 91, 041303.
46. Liu, C.-C.; Zhou, J.-J.; Yao, Y. G. Valley-polarized quantum anomalous hall phases and tunable topological phase transitions in half-hydrogenated Bi honeycomb monolayers. Phys. Rev. B2015, 91, 165430.
47. Fu, L.; Kane, C. L. Topological insulators with inversion symmetry. Phys. Rev. B2007, 76, 045302.