Quantum spin Hall insulators in functionalized arsenene (AsX, X = F, OH and CH3) monolayers with pronounced light absorption

Nanoscale

Volumn 8, Issue 18, 2016, Pages 9657-9666

  Zhao, Jun ^a,b   Li, Yanle ^a   Ma, Jing ^a  

^a NANJING UNIVERSITY   (China)

^b YANGTZE UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CALCULATIONS; ELECTRIC FIELDS; ELECTROMAGNETIC WAVE ABSORPTION; INFRARED DEVICES; LIGHT ABSORPTION; MOLECULAR DYNAMICS; MONOLAYERS; QUANTUM CHEMISTRY; TENSILE STRAIN; TOPOLOGY;

AB INITIO MOLECULAR DYNAMICS; BIAXIAL TENSILE STRAIN; EXTERNAL ELECTRIC FIELD; FIRST-PRINCIPLES CALCULATION; SPIN-ORBIT COUPLINGS; TEMPERATURE APPLICATIONS; TOPOLOGICAL INSULATORS; TOPOLOGICAL INVARIANTS;

ENERGY GAP;

EID: 84971624253     PISSN: 20403364     EISSN: 20403372     Source Type: Journal    
DOI: 10.1039/c6nr01683a     Document Type: Article

References (73)

1. M. Z. Hasan C. L. Kane Colloquium: Topological Insulators Rev. Mod. Phys. 2010 82 3045 3067
2. X. L. Qi S. C. Zhang Topological Insulators and Superconductors Rev. Mod. Phys. 2011 83 1057 1110
3. B. Yan S. C. Zhang Topological Materials Rep. Prog. Phys. 2012 75 096501
4. 3 with A Single Dirac Cone on the Surface Nat. Phys. 2009 5 438 442
5. B. Rasche A. Isaeva M. Ruck S. Borisenko V. Zabolotnyy B. Büchner K. Koepernik C. Ortix M. Richtern J. van den Brink Stacked Topological Insulator Built from Bismuth-based Graphene Sheet Analogues Nat. Mater. 2013 12 422 425
6. C. L. Kane E. J. Mele Quantum Spin Hall Effect in Graphene Phys. Rev. Lett. 2005 95 226801
7. Y. G. Yao F. Ye X. L. Qi S. C. Zhang Z. Fang Spin-Orbit Gap of Graphene: First-Principles Calculations Phys. Rev. B: Condens. Matter 2007 75 041401
8. D. Huertas-Hernando F. Guinea A. Brataas Spin-Orbit Coupling in Curved Graphene, Fullerenes, Nanotubes, and Nanotube Caps Phys. Rev. B: Condens. Matter 2006 74 155426
9. H. Min J. E. Hill N. A. Sinitsyn B. R. Sahu L. Kleinman A. H. MacDonald Intrinsic and Rashba Spin-Orbit Interactions in Graphene Sheets Phys. Rev. B: Condens. Matter 2006 74 165310
10. C. C. Liu W. X. Feng Y. Yao Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium Phys. Rev. Lett. 2011 107 076802
11. W. F. Tsai C. Y. Huang T. R. Chang H. Lin H. T. Jeng A. Bansil Gated Silicene as A Tunable Source of Nearly 100% Spin-Polarized Electrons Nat. Commun. 2013 4 1500
12. C. C. Liu H. Jiang Y. Yao Low-Energy Effective Hamiltonian Involving Spin-Orbit Coupling in Silicene and Two-Dimensional Germanium and Tin Phys. Rev. B: Condens. Matter 2011 84 195430
13. Y. Xu B. H. Yan H. J. Zhang J. Xu G. Wang P. Z. Tang W. H. Duan S. C. Zhang Large-GAP Quantum Spin Hall Insulators in Tin Films Phys. Rev. B: Condens. Matter 2013 111 136804
14. B. A. Bernevig T. L. Hughes S. C. Zhang Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells Science 2006 314 1757 1761
15. M. König S. Wiedmann C. Brüne A. Roth H. Buhmann L. W. Molenkamp X. L. Qi S. C. Zhang Quantum Spin Hall Insulator State in HgTe Quantum Wells Science 2007 318 766 770
16. C. X. Liu T. L. Hughes X. L. Qi K. Wang S. C. Zhang Quantum Spin Hall Effect in Inverted Type-II Semiconductors Phys. Rev. Lett. 2008 100 236601
17. I. Knez R. R. Du G. Sullivan Evidence for Helical Edge Modes in Inverted InAs/GaSb Quantum Wells Phys. Rev. Lett. 2011 107 136603
18. I. Knez R. R. Du G. Sullivan Andreev Reflection of Helical Edge Modes in InAs/GaSb Quantum Spin Hall Insulator Phys. Rev. Lett. 2012 109 186603
19. M. Wada S. Murakami F. Freimuth G. Bihlmayer Localized Edge States in Two-Dimensional Topological Insulators:Ultrathin Bi Films Phys. Rev. B: Condens. Matter 2011 83 121310
20. Z. Q. Huang F. C. Chuang C. H. Hsu Y. T. Liu H. R. Chang H. Lin A. Bansil Nontrivial Topological Electronic Structures in A Single Bi(111) Bilayer on Different Substrates: A First-Principles Study Phys. Rev. B: Condens. Matter 2013 88 165301
21. Z. Liu C. X. Liu Y. S. Wu W. H. Duan F. Liu J. Wu Stable Nontrivial Z2 Topology in Ultrathin Bi(111) Films: A First-Principles Study Phys. Rev. Lett. 2011 107 136805
22. Z. Q. Huang C. H. Hsu F. C. Chuang Y. T. Liu H. Lin W. S. Su V. Ozolins A. Bansil Strain Driven Topological Phase Transitions in Atomically Thin Films of Group IV and V Elements in the Honeycomb Structuresk New J. Phys. 2014 16 105018
23. F. C. Chuang C. H. Hsu C. Y. Chen Z. Q. Huang V. Ozolins H. Lin A. Bansil Tunable Topological Electronic Structures in Sb(111) Bilayers: A First-Principles Study Appl. Phys. Lett. 2013 102 022424
24. P. F. Zhang Z. Liu W. Duan F. Liu J. Wu Topological and Electronic Transitions in A Sb(111) Nanofilm: The Interplay between Quantum Confinement and Surface Effect Phys. Rev. B: Condens. Matter 2012 85 201410
25. S. Murakami Quantum Spin Hall Effect and Enhanced Magnetic Response by Spin-Orbit Coupling Phys. Rev. Lett. 2006 97 236805
26. T. Hirahara G. Bihlmayer Y. Sakamoto M. Yamada H. Miyazaki S. I. Kimura S. Blügel S. Hasegawa Interfacing 2D and 3D Topological Insulators: Bi(111) Bilayer on Bi2Te3 Phys. Rev. Lett. 2011 107 166801
27. F. Yang L. Miao Z. F. Wang M. Y. Yao F. Zhu Y. R. Song M. X. Wang J. P. Xu A. V. Fedorov Z. Sun G. B. Zhang C. Liu F. Liu D. Qian C. L. Gao J. F. Jia Spatial and Energy Distribution of Topological Edge States in Single Bi(111) Bilayer Phys. Rev. Lett. 2012 109 16801
28. L. Miao Z. F. Wang W. Ming M. Y. Yao M. X. Wang F. Yang Y. R. Song F. Zhu A. V. Fedorov Z. Sun C. L. Gao C. Liu Q. K. Xue C. X. Liu F. Liu D. Qian J. F. Jia Quasiparticle Dynamics in Reshaped Helical Dirac Cone of Topological Insulators Proc. Natl. Acad. Sci. U. S. A. 2013 110 2758 2762
29. Z. F. Wang M. Y. Yao W. Ming L. Miao F. Zhu C. Liu C. L. Gao D. Qian J. F. Jia F. Liu Creation of Helical Dirac Fermions by Interfacing Two Gapped Systems of Ordinary Fermions Nat. Commun. 2013 4 1384
30. Y. D. Ma Y. Dai L. Z. Kou T. Frauenheim T. Heine Robust Two-Dimensional Topological Insulators in Methyl-Functionalized Bismuth, Antimony, and Lead Bilayer Films Nano Lett. 2015 15 1083 1089
31. T. Zhou J. Y. Zhan B. Zhao H. S. Zhang Z. Q. Yang Quantum Spin-Quantum Anomalous Hall Insulators and Topological Transitions in Functionalized Sb(111) Monolayers Nano Lett. 2015 15 5149 5155
32. Y. D. Ma X. L. Li L. Z. Kou B. H. Yan C. W. Niu Y. Dai T. Heine Two-Dimensional Inversion-Asymmetric Topological Insulators in Functionalized III-Bi Bilayers Phys. Rev. B: Condens.Matter 2015 91 235306
33. C. P. Crisostomo L. Z. Yao Z. Q. Huang C. H. Hsu F. C. Chuang H. Lin M. A. Albao A. Bansil Robust Large Gap Two-Dimensional Topological Insulators in Hydrogenated III-V Buckled Honeycombs Nano Lett. 2015 15 6568 6574
34. R. R. Q. Freitas R. Rivelino F. de Brito Mota C. M. C. de Castilho Topological Insulating Phases in Two-Dimensional Bisumth-Containing Single Layers Preserved by Hydrogenation J. Phys. Chem. C 2015 119 23599 23606
35. Z. G. Song C. C. Liu J. B. Yang J. Z. Han M. Ye B. T. Fu Y. C. Yang Q. Niu J. Lu Y. G. Yao 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. 2014 6 e147
36. M. W. Zhao X. Chen L. Y. Li X. M. Zhang Driving a GaAs Film to A Large-Gap Topological Insulator by Tensile Strain Sci. Rep. 2015 5 8441
37. L. Z. Kou B. H. Yan F. M. Hu S. C. Wu T. O. Wehling C. Felser C. F. Chen T. Frauenheim Graphene-Based Topological Insulator with an Intrinsic Bulk Band Gap above Room Temperature Nano Lett. 2013 13 6251 6255
38. L. Z. Kou X. Tan Y. D. Ma H. Tahini L. J. Zhou Z. Q. Sun A. J. Du C. F. Chen S. C. Simth Tetragonal Bismuth Bilayer: A Stable and Robust Quantum Spin Hall Insulator 2D Mater. 2015 2 045010
39. H. Liu A. T. Neal Z. Zhu Z. Luo X. F. Xu D. Tománek P. D. Ye Phosphorene: An Unexplored 2D Semiconductor with A High Hole Mobility ACS Nano 2014 8 4033 4041
40. L. Z. Kou C. F. Chen S. C. Smith Phosphorene: FabricationProperties and Applications J. Phys. Chem. Lett. 2015 6 2794 2805
41. S. L. Zhang Z. Yan Y. F. Li Z. F. Chen H. B. Zeng Atomically Thin Arsenene and Antimonene: Semimetal- Semiconductor and Indirect-Direct Band-Gap Transitions Angew. Chem., Int. Ed. 2015 54 3112 3115
42. C. Kamal M. Ezawa Arsenene: Two-dimensional Buckled and Puckered Honeycomb Arsenene Systems Phys. Rev. B: Condens. Matter 2015 91 085423
43. L. Z. Kou Y. D. Ma X. Tan T. Frauenheim A. J. Du S. Smith Structureal and Electronic Properites of Layered Arsenic and Antimony Arsenide J. Phys. Chem. C 2013 4 2885 2889
44. H. J. Zhang Y. D. Ma Z. F. Chen Quantum Spin Hall Insulators in Strain-Modified Arsenene Nanoscale 2015 7 19152 19159
45. Y. P. Wang C. W. Zhang W. X. Ji R. W. Zhang P. Li P. J. Wang M. J. Ren X. L. Chen M. Yuan Tunable Quantum Spin Hall Effect via Strain in Two-Dimensional Arenene Monlayer J. Phys. D: Appl. Phys. 2016 49 055305
46. Y. P. Wang W. X. Ji C. W. Zhang P. Li F. Li M. J. Ren X. L. Chen M. Yuan P. J. Wang Controllable Band Structure and Topological Phase Transition in Two-Dimensional Hydrogenated Arsenene Sci. Rep. 2016 6 20342
47. S. Z. Butler S. M. Hollen L. Y. Cao Y. Cui J. A. Gupta H. R. Gutiérrez T. F. Heinz S. S. Hong J. X. Huang A. F. Ismach E. Johnston-Halperin M. Kuno V. V. Plashnitsa R. D. Robinson R. S. Ruoff S. Salahuddin J. Shan L. Shi M. G. Spencer M. Terrones W. Windl J. E. Goldberger Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene ACS Nano 2013 7 4 2898 2926
48. M. Chhowalla H. S. Shin G. Eda L. J. Li K. P. Loh H. Zhang The Chemistry of Two-Dimensional Layered Transition Metal Dichalcogenide Nanosheets Nat. Chem. 2013 5 263 275
49. J. P. Perdew K. Burke M. Ernzerhof Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996 77 3865 3868
50. G. Kresse D. Joubert From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter 1999 59 1758 1775
51. G. Kresse J. Furthmuller Efficient Iterative Schemes for ab initio Total-Energy Calculations using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter 1996 54 11169 11186
52. G. Kresse J. Furthmüller Efficiency of ab initio total energy calculations for metals and semiconductors using a planewave basis set Comput. Mater. Sci. 1996 6 15 50
53. J. Kliměs D. R. Bowler A. Michaelides van der Waals Density Functionals Applied to Solids Phys. Rev. B: Condens. Matter 2011 83 195131
54. H. J. Monkhorst J. D. Pack Special Points for Brillouin-Zone Integrations Phys. Rev. B: Solid State 1976 13 5188 5192
55. J. Heyd G. E. Scuseria M. Ernzerhof Hybrid Functional Based on A Screened Coulomb Potential J. Chem. Phys. 2003 118 8207 8215
56. S. Baroni S. de Gironcoli A. Dal Corso P. Giannozzi Phonons and related crystal properties from density-functional perturbation theory Rev. Mod. Phys. 2001 73 515 562
57. M. D. Segall P. J. D. Lindan M. J. Probert C. J. Pickard P. J. Hasnip S. J. Clark M. C. Payne First-Principles Simulation: Ideas, Illustrations and the CASTEP code J. Phys.: Condens. Matter 2002 14 2717 2744
58. L. Fu C. L. Kane Topological Insulators with Inversion Symmetry Phys. Rev. B: Condens. Matter 2007 76 045302
59. Y. D. Ma Y. Dai Y. B. Lu B. B. Huang Effective Bandgap Engineering in Wrinkled Germanane via Tiny Electric Field J. Mater. Chem. C 2014 2 1125 1130
60. Y. F. Li Z. F. Cheng Tuning Electronic Properties of Germanane Layers by External Electric Field and Biaxial Strain: A Computational Study J. Phys. Chem. C 2014 118 1148 1154
61. M. Gajdos K. Hummer G. Kresse J. Furthmüller F. Bechstedt Linear Optical Properties in the PAW Methodology Phys. Rev. B: Condens. Matter 2006 73 045112
62. J. Sun H. T. Wang J. L. He Y. J. Tian Ab Initio Investigations of Optical Properties of the High-Pressure Phases of ZnO Phys. Rev. B: Condens. Matter 2005 71 125132
63. G. F. Luo X. M. Qian H. B. Liu R. Qin J. Zhou L. Z. Li Z. X. Gao E. G. Wang W. N. Mei J. Lu Y. L. Li S. Nagase Quasiparticle Energies and Excitonic Effects of the Two-Dimensional Carbon Allotrope Graphdiyne: Theory and Experiment Phys. Rev. B: Condens. Matter 2011 84 075439
64. P. E. Trevisanutto M. Holzmann M. Côté V. Olevano Ab Initio High-Energy Excitonic Effects in Graphite and Graphene Phys. Rev. B: Condens. Matter 2010 81 121405
65. Y. Li Excitonic Effect on Optical Absorption Spectra of Doped Graphene Nano Lett. 2011 11 3844 3847
66. R. W. Havener Y. F. Liang L. Brown Y. Li J. Park Van Hove Singularities and Excitonic Effects in the Optical Conductivity of Twisted Bilayer Graphene Nano Lett. 2014 14 3353 3357
67. 2: Many-Body Effects and Diversity of Exciton States Phys. Rev. Lett. 2013 111 216805
68. 2: Many-Body Effects and Diversity of Exciton States Phys. Rev. Lett. 2013 111 216805
69. 2 Phys. Rev. Lett. 2014 113 76802
70. Z. Ye T. Cao K. O'Brien H. Zhu X. Yin Y. Wang S. G. Louie X. Zhang Probing Excitonic Dark States in Single-Layer Tungsten Disulphide Nature 2014 513 214 218
71. M. M. Ugeda A. J. Bradley S. F. Shi F. H. da Jornada Y. Zhang D. Y. Qiu W. Ruan S. K. Mo Z. Hussain Z. X. Shen et al., Giant Band Renormalization and Excitonic Effects in a Mononlayer Transition Metal Dichalcogenide Semiconductor Nat. Mater. 2014 13 1091 1095
72. M. S. Hybertsen S. G. Louie Electron Correlation in Semiconductors and Insulators: Band Gaps and Quasiparticle Energies Phys. Rev. B: Condens. Matter 1986 34 5390 5413
73. M. Rohlfing S. G. Louie Electron-Hole Excitations and Optical Spectra from First Principles Phys. Rev. B: Condens. Matter 2000 62 4927 4944