Structural and electronic properties of layered arsenic and antimony arsenide

Journal of Physical Chemistry C

Volumn 119, Issue 12, 2015, Pages 6918-6922

  Kou, Liangzhi ^a   Ma, Yandong ^b   Tan, Xin ^a   Frauenheim, Thomas ^c   Du, Aijun ^d   Smith, Sean ^a  

^a UNIVERSITY OF NEW SOUTH WALES   (Australia)

^b JACOBS UNIVERSITY BREMEN   (Germany)

^c UNIVERSITY OF BREMEN   (Germany)

^d QUEENSLAND UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIMONY; ARSENIC COMPOUNDS; BINDING ENERGY; ELECTRONIC PROPERTIES; ENERGY GAP; MONOLAYERS; SPIN ORBIT COUPLING; TENSILE STRAIN; TRANSITION METALS;

ELECTRONIC CHARACTERISTICS; FIRST PRINCIPLE CALCULATIONS; SEMI-CONDUCTING PROPERTY; SEMICONDUCTOR-METAL TRANSITION; STRUCTURAL AND ELECTRONIC PROPERTIES; STRUCTURAL CONFIGURATIONS; TRANSITION METAL DICHALCOGENIDES; TWO DIMENSIONAL (2D) STRUCTURE;

STRUCTURAL PROPERTIES;

EID: 84925939839     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b02096     Document Type: Article

References (33)

1. Xu, M.; Liang, T.; Shi, M.; Chen, H. Graphene-Like Two-Dimensional Materials Chem. Rev. 2013, 113, 3766-3798
2. Sun, Z.; Chang, H. Graphene and Graphene-like Two-Dimensional Materials in Photodetection: Mechanisms and Methodology ACS Nano 2014, 8, 4133-4156
3. Geim, A. K.; Novoselov, K. S. The Rise of Graphene Nat. Mater. 2007, 6, 183-191
4. Castro Neto, A. H.; Peres, N. M. R.; Novoselov, K. S.; Geim, A. K. The Electronic Properties of Graphene Rev. Mod. Phys. 2008, 81, 109-162
5. 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
6. Fleurence, A.; Friedlein, R.; Ozaki, T.; Kawai, H.; Wang, Y.; Yamada-Takamura, Y. Experimental Evidence for Epitaxial Silicene on Diboride Thin Films Phys. Rev. Lett. 2012, 108, 245501
7. Jose, D.; Datta, A. Structures and Chemical Properties of Silicene: Unlike Graphene Acc. Chem, Res. 2014, 47, 593-602
8. Jin, C.; Lin, F.; Suenaga, K.; Iijima, S. Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments Phys. Rev. Lett. 2009, 102, 195505
9. Lee, C.; Li, Q.; Kalb, W.; Liu, X. Z.; Berger, H.; Carpick, R. W.; Hone, J. Frictional Characteristics of Atomically Thin Sheets Science 2010, 328, 76-80
10. Lei, W.; Portehault, D.; Liu, D.; Qin, S.; Chen, Y. Porous Boron Nitride Nanosheets for Effective Water Cleaning Nat. Commun. 2013, 4, 1777
11. Wang, Q. H.; Kalantar-Zadeh, K.; Kis, A.; Coleman, J. N.; Strano, M. S. Electronics and Optoelectronics of Two-Dimensional Transition Metal Dichalcogenides Nat. Nanotechnol. 2012, 7, 699-712
12. Li, L.; Yu, Y.; Ye, G. J.; Ge, Q.; Ou, X.; Wu, H.; Feng, D.; Chen, X. H.; Zhang, Y. Black Phosphorus Field-Effect Transistors Nat. Nanotechnol. 2014, 9, 372-377
13. Kou, L.; Frauenheim, T.; Chen, C. Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I-V Response J. Phys. Chem. Lett. 2014, 5, 2675-2681
14. 2 Topology in Ultrathin Bi (111) Films: A First-Principles Study Phys. Rev. Lett. 2011, 107, 136805
15. Kou, L.; Yan, B.; Hu, F.; Wu, S.-C.; Wehling, T.; Felser, C.; Chen, C.; Frauenheim, T. Graphene-Based Topological Insulator with an Intrinsic Bulk Band Gap above Room Temperature Nano Lett. 2013, 13, 6251-6255
16. Kou, L.; Wu, S.-C.; Felser, C.; Frauenheim, T.; Chen, C.; Yan, B. Robust 2D Topological Insulators in van der Waals Heterostructures ACS Nano 2014, 8, 10448-10454
17. Liu, C.-C.; Feng, W.; Yao, Y. Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium Phys. Rev. Lett. 2011, 107, 076802
18. Xu, Y.; Yan, B.; Zhang, H.-J.; Wang, J.; Xu, G.; Tang, P.; Duan, W.; Zhang, S.-C. Large-Gap Quantum Spin Hall Insulators in Tin Films Phys. Rev. Lett. 2013, 111, 136804
19. Chuang, F.-C.; Hsu, C.-H.; Chen, C.-Y.; Huang, Z.-Q.; Ozolins, V.; Lin, H.; Bansil, A. Tunable Topological Electronic Structures in Sb(111) Bilayers: A First Principles Study Appl. Phys. Lett. 2013, 102, 022424
20. Gao, C.-L.; Qian, D.; Liu, C.-H.; Jia, J.-F.; Feng, L. Topological Edge States and Electronic Structures of a 2D Topological Insulator: Single-Bilayer Bi (111) Chin. Phys. B 2013, 22, 067304
21. Norman, N. C. Chemistry of Arsenic, Antimony and Bismuth; Springer: Dordrecht, 1998; p 50; ISBN 978-0-7514-0389-3.
22. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
23. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865
24. Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Hybrid Functionals Based on a Screened Coulomb Potential J. Chem. Phys. 2003, 118, 8207
25. Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
26. Refson, K.; Tulip, P. R.; Clark, S. J. Variational Density-Functional Perturbation Theory for Dielectrics and Lattice Dynamics Phys. Rev. B 2006, 73, 155114
27. Zhang, S.; Yan, Z.; Li, Y.; Chen, Z.; Zeng, H. Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions Angew. Chem., Int. Ed. 2015, 54, 3112-3115
28. Kamal, C.; Ezawa, M. Arsenene: Two-Dimensional Buckled and Puckered Honeycomb Arsenic Systems Phys. Rev. B 2015, 91, 085423
29. Yoon, J. GaAs Photovoltaics and Optoelectronics Using Releasable Multilayer Epitaxial Assemblies Nature 2010, 465, 329-333
30. Toniolo, G. R.; Anversa, J.; dos Santos, C. L.; Piquini, P. Alloying InAs and InP Nanowires for Optoelectronic Applications: A First Principles Study Phys. Lett. A 2014, 378, 2872-2875
31. Huang, M.; Yan, H.; Heiz, T. F.; Hone, J. Probing Strain-Induced Electronic Structure Change in Graphene by Raman Spectroscopy Nano Lett. 2010, 10, 4074-4079
32. Shoemaker, D. P. Chemical Ordering Rather than Random Alloying in SbAs Phys. Rev. B 2013, 87, 094201
33. Ishizaka, K. Giant Rashba-Type Spin Splitting in Bulk BiTeI Nat. Mater. 2011, 10, 521-526