Strain-driven band inversion and topological aspects in Antimonene

Scientific Reports

Volumn 5, Issue , 2015, Pages

  Zhao, Mingwen ^a   Zhang, Xiaoming ^a   Li, Linyang ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATION; HEIGHT; HIGH TEMPERATURE; PHASE TRANSITION; ELECTRONICS; HEAT; PROCEDURES; QUANTUM THEORY;

ELECTRONICS; HOT TEMPERATURE; PHASE TRANSITION; QUANTUM THEORY;

EID: 84946594672     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep16108     Document Type: Article

References (40)

1. Tang, Q., Zhou, Z. & Chen Z. F. Innovation and discovery of graphene-like materials via density-functional theory computations, Wires Comput. Mol. Sci. 5, 360-379 (2015).
2. Wang Z. H. et al. Phagraphene: A low-energy graphene allotrope composed of 5-6-7 carbon rings with distorted Dirac cones, Nano Lett. 15, 6182-6186 (2015).
3. He, T. et al. Layered titanium oxide nanosheet and ultrathin nanotubes: a first-principles prediction, J. Phys. Chem. C 113, 13610-13615 (2009).
4. Kane, C. L. & Mele, E. J. Quantum spin Hall effect in graphene. Phys. Rev. Lett. 95, 226801 (2005).
5. Hasan, M. Z. & Kane, C. L. Colloquium: Topological insulators. Rev. Mod. Phys. 82, 3045-3067 (2010).
6. Qi, X.-L. & Zhang, S.-C. Topological insulators and superconductors. Rev. Mod. Phys. 83, 1057-1110 (2011).
7. Xiao-Liang, Q. & Shou-Cheng, Z. The quantum spin Hall effect and topological insulators. Phys. Today 63, 33-38 (2010).
8. Bernevig, B. A., Hughes, T. L. & Zhang, S.-C. Quantum spin Hall effect and topological phase transition in HgTe quantum wells. Science 314, 1757-1761 (2006).
9. König, M. et al. Quantum spin Hall insulator state in HgTe quantum wells. Science 318, 766-770 (2007).
10. Yao, Y., Ye, F., Qi, X.-L., Zhang, S.-C. & Fang, Z. Spin-orbit gap of graphene: First-principles calculations. Phys. Rev. B 75, 041401 (2007).
11. Min, H. et al. Intrinsic and Rashba spin-orbit interactions in graphene sheets. Phys. Rev. B 74, 165310 (2006).
12. Boettger, J. C. & Trickey, S. B. First-principles calculation of the spin-orbit splitting in graphene. Phys. Rev. B 75, 121402 (2007).
13. Gmitra, M., Konschuh, S., Ertler, C., Ambrosch-Draxl, C. & Fabian, J. Band-structure topologies of graphene: Spin-orbit coupling effects from first principles. Phys. Rev. B 80, 235431 (2009).
14. Liu, C.-C., Feng, W. & Yao, Y. Quantum spin Hall effect in silicene and two-dimensional germanium. Phys. Rev. Lett. 107, 076802 (2011).
15. Xu, Y. et al. Large-gap quantum spin Hall insulators in tin films. Phys. Rev. Lett. 111, 136804 (2013).
16. 3 siligraphene and its analogs. Phys. Rev. B 89, 195427 (2014).
17. Chen, X., Li, L. & Zhao, M. Dumbbell stanane: a large-gap quantum spin hall insulator, Phys. Chem. Chem. Phys. 17, 16624-16629 (2015).
18. Wang, A., Zhang, X. & Zhao, M. Topological insulator states in a honeycomb lattice of s-triazines, Nanoscale 6, 11157-11162 (2014).
19. Zhang, X., Wang, A. & Zhao M. Spin-gapless semiconducting graphitic carbon nitrides: A theoretical design from first principles. Carbon 84, 1-8 (2015).
20. Zhang, X. & Zhao, M. Prediction of quantum anomalous Hall effect on graphene nanomesh, Rsc Adv. 5, 9875-9880 (2015).
21. Zhao, M., Chen, X., Li, L. & Zhang, X. Driving a GaAs film to a large-gap topological insulator by tensile strain. Sci. Rep. 5, 8441 (2015).
22. Li, L., Zhang, X., Chen, X. & Zhao, M. Giant topological nontrivial band gaps in chloridized gallium bismuthide. Nano Lett. 15, 1296-1301 (2015).
23. Li, L. et al. Black phosphorus field-effect transistors. Nat Nanotechnol. 9, 372-377 (2014).
24. Liu, Q., Zhang, X., Abdalla, L. B., Fazzio, A. & Zunger, A. Switching a normal insulator into a topological insulator via electric field with application to phosphorene. Nano Lett. 15, 1222-1228 (2015).
25. Murakami, S. Quantum spin Hall effect and enhanced magnetic response by spin-orbit coupling. Phys. Rev. Lett. 97, 236805 (2006).
26. 3. Phys. Rev. Lett. 107, 166801 (2011).
27. Sabater, C. et al. Topologically protected quantum transport in locally exfoliated bismuth at room temperature. Phys. Rev. Lett. 110, 176802 (2013).
28. Yang, F. et al. Spatial and energy distribution of topological edge states in single Bi(111) bilayer. Phys. Rev. Lett. 109, 016801 (2012).
29. Drozdov, I. K. et al. One-dimensional topological edge states of bismuth bilayers. Nat. Phys. 10, 664-669 (2014).
30. Zhang, S., Yan, Z., Li, Y., Chen, Z. & Zeng, H. Atomically thin arsenene and antimonene: semimetal-semiconductor and indirectdirect band-gap transitions. Angew. Chem. Int. Ed. 54, 3112-3115 (2015).
31. Zhou, M. et al. Epitaxial growth of large-gap quantum spin Hall insulator on semiconductor surface. Proc. Natl. Acad. Sci. USA 111, 14378-14381, (2014).
32. Fu, L. & Kane, C. L. Topological insulators with inversion symmetry. Phys. Rev. B 76, 045302 (2007).
33. Pérez Garza, H. H., Kievit, E. W., Schneider, G. F. & Staufer, U. Controlled, reversible, and nondestructive generation of uniaxial extreme strains (> 10%) in graphene. Nano Lett. 14, 4107-4113 (2014).
34. Shioya, H., Craciun, M. F., Russo, S., Yamamoto, M. & Tarucha, S. Straining graphene using thin film shrinkage methods. Nano Lett. 14, 1158-1163 (2014).
35. Kresse, G. & Hafner, J. Ab initio molecular dynamics for open-shell transition metals. Phys. Rev. B 48, 13115-13118 (1993).
36. Kresse, G. & Furthmuller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169-11186 (1996).
37. Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775(1999).
38. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
39. Heyd, J., Scuseria, G. E. & Ernzerhof, M. Hybrid functionals based on a screened Coulomb potential. J Chem. Phys. 118, 8207-8215(2003).
40. Chuang, F. C., Hsu, C. H., Chen, C. Y., Huang, Z. Q., Ozolins, V. O., Lin, H. & Bansil, A. Tunable topological electronic structure in Sb(111) bilayers: A first-principles study, Appl. Phys. Lett. 102, 022424 (2013).