Functionalized Thallium Antimony Films as Excellent Candidates for Large-Gap Quantum Spin Hall Insulator
10.1038/srep21351
Crossref journal-article
Springer Science and Business Media LLC
Scientific Reports (297)
Abstract

AbstractGroup III-V films are of great importance for their potential application in spintronics and quantum computing. Search for two-dimensional III-V films with a nontrivial large-gap are quite crucial for the realization of dissipationless transport edge channels using quantum spin Hall (QSH) effects. Here we use first-principles calculations to predict a class of large-gap QSH insulators in functionalized TlSb monolayers (TlSbX2; (X = H, F, Cl, Br, I)), with sizable bulk gaps as large as 0.22 ~ 0.40 eV. The QSH state is identified by Z2 topological invariant together with helical edge states induced by spin-orbit coupling (SOC). Noticeably, the inverted band gap in the nontrivial states can be effectively tuned by the electric field and strain. Additionally, these films on BN substrate also maintain a nontrivial QSH state, which harbors a Dirac cone lying within the band gap. These findings may shed new light in future design and fabrication of QSH insulators based on two-dimensional honeycomb lattices in spintronics.

Bibliography

Zhang, R., Zhang, C., Ji, W., Li, S., Yan, S., Li, P., & Wang, P. (2016). Functionalized Thallium Antimony Films as Excellent Candidates for Large-Gap Quantum Spin Hall Insulator. Scientific Reports, 6(1).

Authors 7
  1. Run-wu Zhang (first)
  2. Chang-wen Zhang (additional)
  3. Wei-xiao Ji (additional)
  4. Sheng-shi Li (additional)
  5. Shi-shen Yan (additional)
  6. Ping Li (additional)
  7. Pei-ji Wang (additional)
References 47 Referenced 28
  1. Hasan, M. Z. & Kane, C. L. Colloquium: Topological Insulators. Rev. Mod. Phys. 82, 3045–3067 (2010). (10.1103/RevModPhys.82.3045) / Rev. Mod. Phys. by MZ Hasan (2010)
  2. Qi, X. L. & Zhang, S. C. Topological Insulators and Superconductors. Rev. Mod. Phys. 83, 1057–1110 (2011). (10.1103/RevModPhys.83.1057) / Rev. Mod. Phys. by XL Qi (2011)
  3. Yan, B. & Zhang, S. C. Topological Materials. Rep. Prog. Phys. 75, 096501 (2012). (10.1088/0034-4885/75/9/096501) / Rep. Prog. Phys. by B Yan (2012)
  4. Moore, J. E. Majorana’s Wires. Nat. Nanotechnol. 8, 194–198 (2013). / Nat. Nanotechnol. by JE Moore (2013)
  5. Rasche, B. et al. Stacked Topological Insulator Built from Bismuth-based Graphene Sheet Analogues. Nat. Mater. 12, 422–425 (2013). (10.1038/nmat3570) / Nat. Mater. by B Rasche (2013)
  6. Zhang, H. J. et al. Topological Insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with A Single Dirac Cone on the Surface. Nat. Phys. 5, 438–442 (2009). (10.1038/nphys1270) / Nat. Phys. by HJ Zhang (2009)
  7. Lima, E. N. & Schmidt, T. M. Topological Phase Driven by Confinement Effects in Bi Bilayers. Phys. Rev. B 91, 075432 (2015). (10.1103/PhysRevB.91.075432) / Phys. Rev. B by EN Lima (2015)
  8. Dziawa, P. et al. Topological crystalline insulator states in Pb1−xSnxSe. Nat. mater. 11, 1023–1027 (2012). (10.1038/nmat3449) / Nat. mater. by P Dziawa (2012)
  9. Du, L., Knez, I., Sullivan, G. & Du, R. R. Robust helical edge transport in gated InAs/GaSb bilayers. Phys. Rev. Lett. 114, 096802 (2015). (10.1103/PhysRevLett.114.096802) / Phys. Rev. Lett. by L Du (2015)
  10. Liu, C. X., Hughes, T. L., Qi, X. L., Wang, K. & Zhang, S. C. Quantum spin Hall effect in inverted type-II semiconductors. Phys. Rev. Lett. 100, 236601 (2008). (10.1103/PhysRevLett.100.236601) / Phys. Rev. Lett. by CX Liu (2008)
  11. Liu, C. C., Hua, J. & Yao, Y. G. Low-energy Effective Hamiltonian Involving Spin-orbit Coupling in Silicene and Two-dimensional Germanium and Tin. Phys. Rev. B 84, 195430 (2011). (10.1103/PhysRevB.84.195430) / Phys. Rev. B by CC Liu (2011)
  12. Yang, F. et al. Spatial and Energy Distribution of Topological Edge States in Single Bi (111) Bilayer. Phys. Rev. Lett. 109, 016801 (2012). (10.1103/PhysRevLett.109.016801) / Phys. Rev. Lett. by F Yang (2012)
  13. Tang, P. Z. et al. Stable two-dimensional dumbbell stanene: A quantum spin Hall insulator. Phys. Rev. B 90, 121408 (2014). (10.1103/PhysRevB.90.121408) / Phys. Rev. B by PZ Tang (2014)
  14. Zhao, H. et al. Unexpected Giant-Gap Quantum Spin Hall Insulator in Chemically Decorated Plumbene Monolayer, Sci. Rep. 6, 20152 (2016). (10.1038/srep20152) / Sci. Rep by H Zhao (2016)
  15. Wang, Y. P. et al. Tunable quantum spin Hall effect via strain in two-dimensional arsenene monolayer. J. Phys. D: Appl. Phys. 49, 055305 (2016). (10.1088/0022-3727/49/5/055305) / J. Phys. D: Appl. Phys. by YP Wang (2016)
  16. Jin, K. H. & Jhi, S. H. Quantum Anomalous Hall and Quantum Spin-Hall Phases in Flattened Bi and Sb Bilayers. Sci. Rep. 5, 8426 (2015). (10.1038/srep08426) / Sci. Rep. by KH Jin (2015)
  17. Song, Z. G. et al. Quantum Spin Hall Insulators and Quantum Valley Hall Insulators of BiX/SbX (X= H, F, Cl and Br) Monolayers with a Record Bulk Band Gap. NPG Asia Mater. 6, e147 (2014). (10.1038/am.2014.113) / NPG Asia Mater. by ZG Song (2014)
  18. Zhang, R. W. et al. Ethynyl-functionalized stanene film: a promising candidate as large-gap quantum spin Hall insulator. New J. Phys. 17, 083036 (2015). (10.1088/1367-2630/17/8/083036) / New J. Phys. by RW Zhang (2015)
  19. Zhang, R. W. et al. Room Temperature Quantum Spin Hall Insulator in Ethynyl- Derivative Functionalized Stanene Films, Sci. Rep. 6, 18879 (2016). (10.1038/srep18879) / Sci. Rep by RW Zhang (2016)
  20. Yang, F. et al. Spatial and energy distribution of topological edge states in single Bi (111) bilayer. Phys. Rev. Lett. 109, 016801 (2012). (10.1103/PhysRevLett.109.016801) / Phys. Rev. Lett. by F Yang (2012)
  21. Hirahara, T. et al. Atomic and electronic structure of ultrathin Bi (111) films grown on Bi2Te3 (111) substrates: evidence for a strain induced topological phase transition. Phys. Rev. Lett. 109, 227401 (2012). (10.1103/PhysRevLett.109.227401) / Phys. Rev. Lett. by T Hirahara (2012)
  22. Fukui, N. et al. Surface relaxation of topological insulators: Influence on the electronic structure. Phys. Rev. B 85, 115426 (2012). (10.1103/PhysRevB.85.115426) / Phys. Rev. B by N Fukui (2012)
  23. Wang, Z. F. et al. Creation of helical Dirac fermions by interfacing two gapped systems of ordinary fermions. Nat. Commun. 4, 1384 (2013). (10.1038/ncomms2387) / Nat. Commun. by ZF Wang (2013)
  24. Murakami, S. Quantum Spin Hall Effect and Enhanced Magnetic Response by Spin-Orbit Coupling. Phys. Rev. Lett. 97, 236805 (2006). (10.1103/PhysRevLett.97.236805) / Phys. Rev. Lett. by S Murakami (2006)
  25. Bahramy, M. S., Yang, B. J., Arita, R. & Nagaosa, N. Emergence of non-centrosymmetric topological insulating phase in BiTeI under pressure. Nat. Comm. 3, 679 (2012). (10.1038/ncomms1679) / Nat. Comm. by MS Bahramy (2012)
  26. Wan, X., Turner, A. M., Vishwanath, A. & Savrasov, S. Y. Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates. Phys. Rev. B 83, 205101 (2011). (10.1103/PhysRevB.83.205101) / Phys. Rev. B by X Wan (2011)
  27. Wang, J., Chen, X., Zhu, B. F. & Zhang, S. C. Topological p-n junction. Phys. Rev. B 85, 235131 (2012). (10.1103/PhysRevB.85.235131) / Phys. Rev. B by J Wang (2012)
  28. Bauer, E. et al. Heavy Fermion Superconductivity and Magnetic Order in Noncentrosymmetric CePt3S. Phys. Rev. Lett. 92, 027003 (2004). (10.1103/PhysRevLett.92.027003) / Phys. Rev. Lett. by E Bauer (2004)
  29. Frigeri, P. A., Agterberg, D. F., Koga, A. & Sigrist, M. Superconductivity without Inversion Symmetry: MnSi versus CePt3Si. Phys. Rev. Lett. 92, 097001 (2004). (10.1103/PhysRevLett.92.097001) / Phys. Rev. Lett. by PA Frigeri (2004)
  30. Liu, Q. et al. Switching a Normal Insulator into a Topological Insulator via Electric Field with Application to Phosphorene. Nano Lett. 15, 1222–1228 (2015). (10.1021/nl5043769) / Nano Lett. by Q Liu (2015)
  31. Weng, H., Dai, X. & Fang, Z. Transition-metal pentatelluride ZrTe5 and HfTe5: A paradigm for large-gap quantum spin Hall insulators. Phys. Rev. X 4, 011002 (2014). / Phys. Rev. X by H Weng (2014)
  32. Zhu, Z., Cheng, Y. & Schwingenschlögl, U. Topological phase transition in layered GaS and GaSe. Phys. Rev. Lett. 108, 266805 (2012). (10.1103/PhysRevLett.108.266805) / Phys. Rev. Lett. by Z Zhu (2012)
  33. Kane, C. L. & Mele, E. J. Quantum Spin Hall Effect in Graphene. Phys. Rev. Lett. 95, 226801 (2005). (10.1103/PhysRevLett.95.226801) / Phys. Rev. Lett. by CL Kane (2005)
  34. Liu, C. C., Feng, W. X. & Yao, Y. G. Quantum spin Hall effect in silicene and two-dimensional germanium. Phys. Rev. Lett. 107, 076802 (2011). (10.1103/PhysRevLett.107.076802) / Phys. Rev. Lett. by CC Liu (2011)
  35. Xu, Y. et al. Large-gap Quantum Spin Hall Insulators in Tin films. Phys. Rev. Lett. 111, 136804 (2013). (10.1103/PhysRevLett.111.136804) / Phys. Rev. Lett. by Y Xu (2013)
  36. Mostofi, A. A. et al. Wannier90: A tool for obtaining maximally-localised Wannier functions. Comput. Phys. Commun. 178, 685 (2008). (10.1016/j.cpc.2007.11.016) / Comput. Phys. Commun. by AA Mostofi (2008)
  37. Sancho, M. P. L., Sancho, J. M. L. & Rubio, J. Quick iterative scheme for the calculation of transfer matrices: application to Mo (100). J. Phys. F: Met. Phys. 14, 1205 (1984). (10.1088/0305-4608/14/5/016) / J. Phys. F: Met. Phys by MPL Sancho (1984)
  38. Fu, L. & Kane, C. L. Josephson current and noise at a superconductor/quantum-spin-Hall-insulator/superconductor junction. Phys. Rev. B 79, 161408 (2009). (10.1103/PhysRevB.79.161408) / Phys. Rev. B by L Fu (2009)
  39. Yu, R., Qi, X. L., Bernevig, A., Fang, Z. & Dai, X. Equivalent expression of Z2 topological invariant for band insulators using the non-Abelian Berry connection. Phys. Rev. B 84, 075119 (2011). (10.1103/PhysRevB.84.075119) / Phys. Rev. B by R Yu (2011)
  40. Kim, K. K. et al. Synthesis of monolayer hexagonal boron nitride on Cu foil using chemical vapor deposition. Nano Lett. 12, 161–166 (2011). (10.1021/nl203249a) / Nano Lett. by KK Kim (2011)
  41. Yang, W. et al. Epitaxial growth of single-domain graphene on hexagonal boron nitride. Nat. Mater. 12, 792–797 (2013). (10.1038/nmat3695) / Nat. Mater. by W Yang (2013)
  42. Klimeš, J., Bowler, D. R. & Michaelides, A. Van der Waals density functionals applied to solids. Phys. Rev. B 83, 195131 (2011). (10.1103/PhysRevB.83.195131) / Phys. Rev. B by J Klimeš (2011)
  43. Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169 (1996). (10.1103/PhysRevB.54.11169) / Phys. Rev. B by G Kresse (1996)
  44. Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15–50 (1996). (10.1016/0927-0256(96)00008-0) / Comput. Mater. Sci. by G Kresse (1996)
  45. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 77, 3865 (1996). (10.1103/PhysRevLett.77.3865) / Phys. Rev. Lett. by JP Perdew (1996)
  46. Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953 (1994). (10.1103/PhysRevB.50.17953) / Phys. Rev. B by PE Blöchl (1994)
  47. Zimmermann, H., Keller, R. C., Meisen, P. & Seelmann-Eggebert, M. Growth of Sn Thin Films on CdTe (111). Surf. Sci. 904, 377–379 (1997). / Surf. Sci. by H Zimmermann (1997)
Dates
Type When
Created 9 years, 6 months ago (Feb. 17, 2016, 5:57 a.m.)
Deposited 2 years, 7 months ago (Jan. 4, 2023, 8:44 a.m.)
Indexed 1 year, 1 month ago (July 9, 2024, 4:27 a.m.)
Issued 9 years, 6 months ago (Feb. 17, 2016)
Published 9 years, 6 months ago (Feb. 17, 2016)
Published Online 9 years, 6 months ago (Feb. 17, 2016)
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@article{Zhang_2016, title={Functionalized Thallium Antimony Films as Excellent Candidates for Large-Gap Quantum Spin Hall Insulator}, volume={6}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/srep21351}, DOI={10.1038/srep21351}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Zhang, Run-wu and Zhang, Chang-wen and Ji, Wei-xiao and Li, Sheng-shi and Yan, Shi-shen and Li, Ping and Wang, Pei-ji}, year={2016}, month=feb }