Topological Insulating Phases in Two-Dimensional Bismuth-Containing Single Layers Preserved by Hydrogenation

Journal of Physical Chemistry C

Volumn 119, Issue 41, 2015, Pages 23599-23606

  Freitas, R R Q ^a,b   Rivelino, R ^a   De Brito Mota, F ^a   De Castilho, C M C ^a   Kakanakova Georgieva, A ^b   Gueorguiev, G K ^b  

^a FEDERAL UNIVERSITY OF BAHIA   (Brazil)

^b LINKÖPING UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ENERGY GAP; HONEYCOMB STRUCTURES; INSULATION; TOPOLOGY;

FIRST-PRINCIPLES CALCULATION; GEOMETRIC CONFIGURATIONS; INSULATING PROPERTIES; SPATIAL CONFIGURATION; TEMPERATURE APPLICATIONS; TOPOLOGICAL CHARACTERISTICS; TOPOLOGICAL INSULATORS; TWO DIMENSIONAL (2 D);

HYDROGENATION;

EID: 84944407311     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b07961     Document Type: Article

References (34)

1. Xu, M. S.; Liang, T.; Shi, M. M.; Chen, H. Z. Graphene-Like Two-Dimensional Materials Chem. Rev. 2013, 113, 3766-3798 10.1021/cr300263a
2. Butler, S. Z.; Hollen, S. M.; Cao, L. Y.; Cui, Y.; Gupta, J. A.; Gutierrez, H. R.; Heinz, T. F.; Hong, S. S.; Huang, J. X.; Ismach, A. F. et al. Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene ACS Nano 2013, 7, 2898-2926 10.1021/nn400280c
3. 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 Two-Dimensional Silicon Phys. Rev. Lett. 2012, 108, 155501 10.1103/PhysRevLett.108.155501
4. Davila, M. E.; Xian, L.; Cahangirov, S.; Rubio, A.; Le Lay, G. Germanene: A Novel Two-Dimensional Germanium Allotrope Akin to Graphene and Silicene New J. Phys. 2014, 16, 095002 10.1088/1367-2630/16/9/095002
5. Bianco, E.; Butler, S.; Jiang, S. S.; Restrepo, O. D.; Windl, W.; Goldberger, J. E. Stability and Exfoliation of Germanane: A Germanium Graphane Analogue ACS Nano 2013, 7, 4414-4421 10.1021/nn4009406
6. Zhu, F.; Chen, W.; Xu, Y.; Gao, C.; Guan, D.; Liu, C.; Qian, D.; Zhang, S.-C.; Jia, J. Epitaxial Growth of Two-Dimensional Stanene Nat. Mater. 2015, 14, 1020 10.1038/nmat4384
7. Liu, H.; Neal, A. T.; Zhu, Z.; Luo, Z.; Xu, X. F.; Tomanek, D.; Ye, P. D. D. Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility ACS Nano 2014, 8, 4033-4041 10.1021/nn501226z
8. Zhang, S. L.; Yan, Z.; Li, Y. F.; Chen, Z. F.; Zeng, H. B. Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions Angew. Chem., Int. Ed. 2015, 54, 3112-3115 10.1002/anie.201411246
9. Guan, J.; Zhu, Z.; Tomanek, D. Tiling Phosphorene ACS Nano 2014, 8, 12763-12768 10.1021/nn5059248
10. Woomer, A. H.; Farnsworth, T. W.; Hu, J.; Wells, R. A.; Donley, C. L.; Warren, S. C. Phosphorene: Synthesis, Scale-up, and Quantitative Optical Spectroscopy ACS Nano 2015, 9, 8869 10.1021/acsnano.5b02599
11. Cheng, L.; Liu, H. J.; Tan, X. J.; Zhang, J.; Wei, J.; Lv, H. Y.; Shi, J.; Tang, X. F. Thermoelectric Properties of a Monolayer Bismuth J. Phys. Chem. C 2014, 118, 904-910 10.1021/jp411383j
12. 2Se from First Principles Phys. Rev. Appl. 2015, 3, 014004 10.1103/PhysRevApplied.3.014004
13. Huang, Z. Q.; Chuang, F. C.; Hsu, C. H.; Liu, Y. T.; Chang, H. R.; Lin, H.; Bansil, A. Nontrivial Topological Electronic Structures in a Single Bi(111) Bilayer on Different Substrates: A First-Principles Study Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 88, 165301 10.1103/PhysRevB.88.165301
14. 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 10.1021/nl500206u
15. Chen, L.; Wang, Z. F.; Liu, F. Robustness of Two-Dimensional Topological Insulator States in Bilayer Bismuth against Strain and Electrical Field Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 87, 235420 10.1103/PhysRevB.87.235420
16. 2 p-FETs with Chemically Doped Contacts Nano Lett. 2012, 12, 3788-3792 10.1021/nl301702r
17. Ma, Y.; Li, X.; Kou, L.; Yan, B.; Niu, C.; Dai, Y.; Heine, T. Two-Dimensional Inversion-Asymmetric Topological Insulators in Functionalized III-Bi Bilayers Phys. Rev. B: Condens. Matter Mater. Phys. 2015, 91, 235306 10.1103/PhysRevB.91.235306
18. Ma, Y.; Dai, Y.; Kou, L.; Frauenheim, T.; Heine, T. Robust Two-Dimensional Topological Insulators in Methyl-Functionalized Bismuth, Antimony and Lead Bilayer Films Nano Lett. 2015, 15, 1083-1089 10.1021/nl504037u
19. Ma, Y.; Kou, L.; Du, A.; Heine, T. Group 14 Element Based Noncentrosymmetric Quantum Spin Hall Insulators with Large Bulk Gap Nano Res. 2015, 10.1007/s12274-015-0842-7
20. Houssa, M.; Scalise, E.; Sankaran, K.; Pourtois, G.; Afanas'ev, V. V.; Stesmans, A. Electronic Properties of Hydrogenated Silicene and Germanene Appl. Phys. Lett. 2011, 98, 223107 10.1063/1.3595682
21. Garcia, J. C.; de Lima, D. B.; Assali, L. V. C.; Justo, J. F. Group IV Graphene- and Graphane-Like Nanosheets J. Phys. Chem. C 2011, 115, 13242-13246 10.1021/jp203657w
22. Kresse, G.; Hafner, J. Ab Initio Molecular-Dynamics for Liquid-Metals Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 47, 558-561 10.1103/PhysRevB.47.558
23. Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
24. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
25. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758-1775 10.1103/PhysRevB.59.1758
26. Hobbs, D.; Kresse, G.; Hafner, J. Fully Unconstrained Noncollinear Magnetism within the Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 2000, 62, 11556 10.1103/PhysRevB.62.11556
27. Song, Z.; Liu, C.-C.; Yang, J.; Han, J.; Ye, M.; Fu, B.; Yang, Y.; Niu, Q.; Lu, J.; Yao, Y. 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 10.1038/am.2014.113
28. 2 Nat. Phys. 2015, 11, 482-486 10.1038/nphys3314
29. Hsu, C.-H.; Huang, Z.-Q.; Chuang, F.-C.; Kuo, C.-C.; Liu, Y.-T.; Lin, H.; Bansil, A. The Nontrivial Electronic Structure of Bi/Sb Honeycombs on SiC(0001) New J. Phys. 2015, 17, 025005 10.1088/1367-2630/17/2/025005
30. Noor-A-Alam, M.; Kim, H. J.; Shin, Y. H. Dipolar Polarization and Piezoelectricity of a Hexagonal Boron Nitride Sheet Decorated with Hydrogen and Fluorine Phys. Chem. Chem. Phys. 2014, 16, 6575-6582 10.1039/c3cp53971g
31. Ishizaka, K.; Bahramy, M. S.; Murakawa, H.; Sakano, M.; Shimojima, T.; Sonobe, T.; Koizumi, K.; Shin, S.; Miyahara, H.; Kimura, A. et al. Giant Rashba-type Spin Splitting in Bulk BiTeI Nat. Mater. 2011, 10, 521-526 10.1038/nmat3051
32. 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 10.1103/PhysRevLett.111.136804
33. Chou, B.-H.; Huang, Z.-Q.; Hsu, C.-H.; Chuang, F.-C.; Liu, Y.-T.; Lin, H.; Bansil, A. Hydrogenated Ultra-Thin Tin Films Predicted as Two-Dimensional Topological Insulators New J. Phys. 2014, 16, 115008 10.1088/1367-2630/16/11/115008
34. Huang, H. Q.; Liu, J. P.; Duan, W. H. Nontrivial Z(2) Topology in Bismuth-Based III-V Compounds Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 90, 195105 10.1103/PhysRevB.90.195105