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Prediction of large-gap quantum spin hall insulator and Rashba-Dresselhaus effect in two-dimensional g-TlA (A = N, P, As, and Sb) monolayer films

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Abstract

A new family of two-dimensional (2D) topological insulators (TIs) comprising g-TlA (A = N, P, As, and Sb) monolayers constructed by Tl and group-V elements is predicted by first-principles calculations and molecular-dynamics (MD) simulations. The geometric stability, band inversion, nontrivial edge states, and electric polarity are investigated to predict the large-gap quantum spin Hall insulator and Rashba-Dresselhaus effects. The MD results reveal that the g-TlA monolayers remain stable even at room temperature. The g-TlA (A = As, Sb) monolayers become TIs under the influence of strong spin-orbit couplings with large bulk bandgaps of 131 and 268 meV, respectively. A single band inversion is observed in each g-TlA (A = As, Sb) monolayer, indicating a nontrivial topological nature. Furthermore, the topological edge states are described by introducing a sufficiently wide zigzag-nanoribbon. A Dirac point in the middle of the bulk gap connects the valence- and conduction-band edges. The Fermi velocity near the Dirac point with a linear band dispersion is ~0.51 × 106 m/s, which is comparable to that of many other 2D nanomaterials. More importantly, owing to the broken inversion symmetry normal to the plane of the g-TlA films, a promising Rashba-Dresselhaus effect with the parameter up to 0.85 eV·Å is observed in the g-TlA (A = As, Sb) monolayers. Our findings regarding 2D topological g-TlA monolayers with room-temperature bandgaps, intriguing topological edge states, and a promising Rashba-Dresselhaus effect are of fundamental value and suggest potential applications in nanoelectronic devices.

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References

  1. Tanaka, Y.; Ren, Z.; Sato, T.; Nakayama, K.; Souma, S.; Takahashi, T.; Segawa, K; Ando, Y. Experimental realization of a topological crystalline insulator in SnTe. Nat. Phys. 2012, 8, 800–803.

    Article  Google Scholar 

  2. Zhang, Y.; He, K.; Chang, C.-Z.; Song, C.-L.; Wang, L.-L.; Chen, X.; Jia, J.-F.; Fang, Z.; Dai, X.; Shan, W.-Y. Crossover of the three-dimensional topological insulator Bi2Se3 to the two-dimensional limit. Nat. Phys. 2010, 6, 584–588.

    Article  Google Scholar 

  3. Zhao, S. L.; Wang, H. A.; Zhou, Y.; Liao, L.; Jiang, Y.; Yang, X.; Chen, G. C.; Lin, M.; Wang, Y.; Peng, H. L. et al. Controlled synthesis of single-crystal SnSe nanoplates. Nano Res. 2015, 8, 288–295.

    Article  Google Scholar 

  4. Chang, C.-Z.; Zhang, Z. C.; Li, K.; Feng, X.; Zhang, J. S.; Guo, M. H.; Feng, Y.; Wang, J.; Wang, L.-L.; Ma, X.-C. et al. Simultaneous electrical-field-effect modulation of both top and bottom dirac surface states of epitaxial thin films of three-dimensional topological insulators. Nano Lett. 2015, 15, 1090–1094.

    Article  Google Scholar 

  5. Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Katsnelson, M. I.; Grigorieva, I. V.; Dubonos, S. V.; Firsov, A. A. Two-dimensional gas of massless Dirac fermions in graphene. Nature 2005, 438, 197–200.

    Article  Google Scholar 

  6. Kane, C. L.; Mele, E. J. Quantum spin Hall effect in graphene. Phys. Rev. Lett 2005, 95, 226801.

    Google Scholar 

  7. König, M.; Wiedmann, S.; Brü ne, C.; Roth, A.; Buhmann, H.; Molenkamp, L. W.; Qi, X.-L.; Zhang, S.-C. Quantum spin Hall insulator state in HgTe quantum wells. Science 2007, 318, 766–770.

    Article  Google Scholar 

  8. Knez, I.; Du, R.-R.; Sullivan, G. Andreev reflection of helical edge modes in InAs/GaSb quantum spin Hall insulator. Phys. Rev. Lett 2012, 109, 186603.

    Article  Google Scholar 

  9. Koga, T.; Nitta, J.; Takayanagi, H.; Datta, S. Spin-filter device based on the Rashba effect using a nonmagnetic resonant tunneling diode. Phys. Rev. Lett 2002, 88, 126601.

    Article  Google Scholar 

  10. Crepaldi, A.; Moreschini, L.; Autès, G.; Tournier- Colletta, C.; Moser, S.; Virk, N.; Berger, H.; Bugnon, P.; Chang, Y. J.; Kern, K. Giant ambipolar Rashba effect in the semiconductor BiTeI. Phys. Rev. Lett 2012, 109, 096803.

    Article  Google Scholar 

  11. Ma, Y. D.; Dai, Y.; Yin, N.; Jing, T.; Huang, B. B. Ideal twodimensional systems with a gain Rashba-type spin splitting: SrFBiS2 and BiOBiS2 nanosheets. J. Mater. Chem. C 2014, 2, 8539–8545.

    Article  Google Scholar 

  12. Ma, Y. D.; Dai, Y.; Wei, W.; Li, X. R.; Huang, B. B. Emergence of electric polarity in BiTeX (X= Br and I) monolayers and the giant Rashba spin splitting. Phys. Chem. Chem. Phys. 2014, 16, 17603–17609.

    Article  Google Scholar 

  13. Liu, Q. H.; Guo, Y. Z.; Freeman, A. J. Tunable Rashba effect in two-dimensional LaOBiS2 films: Ultrathin candidates for spin field effect transistors. Nano Lett. 2013, 13, 5264–5270.

    Article  Google Scholar 

  14. Murakami, S. Quantum spin Hall effect and enhanced magnetic response by spin-orbit coupling. Phys. Rev. Lett 2006, 97, 236805.

    Article  Google Scholar 

  15. Liu, Z.; Liu, C.-X.; Wu, Y.-S.; Duan, W.-H.; Liu, F.; Wu, J. Stable nontrivial Z2 topology in ultrathin Bi (111) films: A first-principles study. Phys. Rev. Lett 2011, 107, 136805–136809.

    Article  Google Scholar 

  16. Wang, Z. F.; Chen, L.; Liu, F. Tuning topological edge states of Bi (111) bilayer film by edge adsorption. Nano Lett. 2014, 14, 2879–2883.

    Article  Google Scholar 

  17. Zhang, P. F.; Liu, Z.; Duan, W. H.; Liu, F.; Wu, J. Topological and electronic transitions in a Sb (111) nanofilm: The interplay between quantum confinement and surface effect. Phys. Rev. B 2012, 85, 201410–201413.

    Article  Google Scholar 

  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. B 2014, 89, 115429–115433.

    Article  Google Scholar 

  19. Ma, Y. D.; Dai, Y.; Wei, W.; Huang, B. B.; Whangbo, M.-H. Strain-induced quantum spin Hall effect in methyl-substituted germanane GeCH3. Sci. Rep. 2014, 4, 7297.

    Article  Google Scholar 

  20. Drummond, N. D.; Zolyomi, V.; Fal'Ko, V. I. Electrically tunable band gap in silicene. Phys. Rev. B 2012, 85, 075423.

    Article  Google Scholar 

  21. Ma, Y. D.; Dai, Y.; Kou, L. Z.; Frauenheim, T.; Heine, T. Robust two-dimensional topological insulators in methylfunctionalized bismuth, antimony, and lead bilayer films. Nano Lett. 2015, 15, 1083–1089.

    Article  Google Scholar 

  22. Chuang, F.-C.; Yao, L.-Z.; Huang, Z.-Q.; Liu, Y.-T.; Hsu, C.-H.; Das, T.; Lin, H.; Bansil, A. Prediction of large-gap two-dimensional topological insulators consisting of bilayers of group III elements with Bi. Nano Lett. 2014, 14, 2505–2508.

    Article  Google Scholar 

  23. Wang, G. A.; Zhu, X. G.; Wen, J.; Chen, X.; He, K.; Wang, L. L.; Ma, X. C.; Liu, Y.; Dai, X.; Fang, Z. et al. Atomically smooth ultrathin films of topological insulator Sb2Te3. Nano Res. 2010, 3, 874–880.

    Article  Google Scholar 

  24. 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. Spatial and energy distribution of topological edge states in single Bi (111) bilayer. Phys. Rev. Lett 2012, 109, 016801–016805.

    Article  Google Scholar 

  25. Hirahara, T.; Fukui, N.; Shirasawa, T.; Yamada, M.; Aitani, M.; Miyazaki, H.; Matsunami, M.; Kimura, S.; Takahashi, T.; Hasegawa, S. et al. Atomic and electronic structure of ultrathin Bi (111) films grown on Bi2Te2 (111) substrates: Evidence for a strain-induced topological phase transition. Phys. Rev. Lett 2012, 109, 227401.

    Article  Google Scholar 

  26. Fukui, N.; Hirahara, T.; Shirasawa, T.; Takahashi, T.; Kobayashi, K.; Hasegawa, S. Surface relaxation of topological insulators: Influence on the electronic structure. Phys. Rev. B 2012, 85, 115426.

    Article  Google Scholar 

  27. 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.

    Article  Google Scholar 

  28. Lin, H.; Markiewicz, R. S.; Wray, L. A.; Fu, L.; Hasan, M. Z.; Bansil, A. Single-Dirac-cone topological surface states in the TlBiSe2 class of topological semiconductors. Phys. Rev. Lett 2010, 105, 036404.

    Google Scholar 

  29. Xu, S.-Y.; Xia, Y.; Wray, L. A.; Jia, S.; Meier, F.; Dil, J. H.; Osterwalder, J.; Slomski, B.; Bansil, A.; Lin, H. et al. Topological phase transition and texture inversion in a tunable topological insulator. Science 2011, 332, 560–564.

    Article  Google Scholar 

  30. Sato, T.; Segawa, K.; Kosaka, K.; Souma, S.; Nakayama, K.; Eto, K.; Minami, T.; Ando, Y.; Takahashi, T. Unexpected mass acquisition of Dirac fermions at the quantum phase transition of a topological insulator. Nat. Phys. 2011, 7, 840–844.

    Article  Google Scholar 

  31. Niu, C. W.; Dai, Y.; Yu, L.; Guo, M.; Ma, Y. D.; Huang, B. B. Quantum anomalous Hall effect in doped ternary chalcogenide topological insulators TlBiTe2 and TlBiSe2. Appl. Phys. Lett. 2011, 99, 142502.

    Article  Google Scholar 

  32. Kresse, G.; Furthmü ller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a planewave basis set. Comp. Mater. Sci. 1996, 6, 15–50.

    Article  Google Scholar 

  33. Kresse, G.; Furthmü ller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 1996, 54, 11169–11186.

    Article  Google Scholar 

  34. Monkhorst, H. J.; Pack, J. D. Special points for Brillouinzone integrations. Phys. Rev. B 1976, 13, 5188–5192.

    Article  Google Scholar 

  35. Peng, Q.; Liang, C.; Ji, W.; De, S. A first principles investigation of the mechanical properties of g-TIN. Model. Numer. Sim. Mater. Sci. 2012, 2, 76–84.

    Google Scholar 

  36. Sahin, H.; Cahangirov, S.; Topsakal, M.; Bekaroglu, E.; Akturk, E.; Senger, R. T.; Ciraci, S. Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations. Phys. Rev. B 2009, 80, 155453.

    Article  Google Scholar 

  37. Lin, H.; Markiewicz, R. S.; Wray, L. A.; Fu, L.; Hasan, M. Z.; Bansil, A. Single-Dirac-cone topological surface states in the TlBiSe2 class of topological semiconductors. Phys. Rev. Lett 2010, 105, 036404.

    Article  Google Scholar 

  38. 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.

    Article  Google Scholar 

  39. Li, X. R.; Dai, Y.; Ma, Y. D.; Huang, B. B. Electronic and magnetic properties of honeycomb transition metal monolayers: First-principles insights. Phys. Chem. Chem. Phys. 2014, 16, 13383–13389.

    Article  Google Scholar 

  40. Qian, X. F.; Fu, L.; Li, J. Topological crystalline insulator nanomembrane with strain-tunable band gap. Nano Res. 2015, 8, 967–979.

    Article  Google Scholar 

  41. Zhang, Y.; He, K.; Chang, C.-Z.; Song, C.-L.; Wang, L.-L.; Chen, X.; Jia, J.-F.; Fang, Z.; Dai, X.; Shan, W.-Y. et al. Crossover of the three-dimensional topological insulator Bi2Se3 to the two-dimensional limit. Nat. Phys. 2010, 6, 584–588.

    Article  Google Scholar 

  42. Miao, M. S.; Yan, Q.; Van de Walle, C. G.; Lou, W. K.; Li, L. L.; Chang, K. Polarization-driven topological insulator transition in a GaN/InN/GaN quantum well. Phys. Rev. Lett 2012, 109, 186803.

    Article  Google Scholar 

  43. Crepaldi, A.; Moreschini, L.; Autès, G.; T ournier-Colletta, C.; Moser, S.; Virk, N.; Berger, H.; Bugnon, P.; Chang, Y. J.; Kern, K. et al. Giant ambipolar Rashba effect in the semiconductor BiTeI. Phys. Rev. Lett 2012, 109, 096803.

    Article  Google Scholar 

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Authors and Affiliations

  1. School of Physics, Shandong University, Jinan, 250100, China

    Xinru Li, Ying Dai, Yandong Ma, Wei Wei & Lin Yu

  2. State Key Laboratory of Crystal Materials, Shandong University, Jinan, 250100, China

    Baibiao Huang

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  1. Xinru Li
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Correspondence to Ying Dai.

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Li, X., Dai, Y., Ma, Y. et al. Prediction of large-gap quantum spin hall insulator and Rashba-Dresselhaus effect in two-dimensional g-TlA (A = N, P, As, and Sb) monolayer films. Nano Res. 8, 2954–2962 (2015). https://doi.org/10.1007/s12274-015-0800-4

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