Vacancy and Doping States in Monolayer and bulk Black Phosphorus

Scientific Reports

Volumn 5, Issue , 2015, Pages

  Guo, Yuzheng ^a   Robertson, John ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84942018138     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep14165     Document Type: Article

References (49)

1. Geim, A. K. & Novoselov, K. S. The rise of graphene. Nat. Mats. 6, 183-191 (2007).
2. 2 transistors. Nat. Nanotechnol. 6, 147-150 (2011).
3. Fiori, G. et al. Electronics based on two-dimensional materials. Nat. Nanotechnol. 9, 768-779 (2014).
4. 2 transistors. Nat. Nanotechnol. 8, 146-147 (2013).
5. Fivaz, R. & Mooser, E. Mobility of Charge Carriers in Semiconducting Layer Structures. Phys. Rev. 163, 743 (1967).
6. 2 Transistors with Scandium Contacts. Nano Lett. 13, 100-105 (2013)
7. 2. ACS Nano 8, 2880-2888 (2014).
8. x contacts. Nano Lett. 14, 1337-1342 (2014).
9. Guo, Y., Liu, D. & Robertson, J. Chalcogen vacancies in monolayer transition metal dichalcogenides and Fermi level pinning at contacts. Appl. Phys. Letts. 106, 173106 (2015).
10. Li, L. et al. Black phosphorus field-effect transistors. Nat. Nanotechnol. 9, 372-377 (2014).
11. Liu, H. et al. Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility. ACS Nano 8, 4033-4041 (2014).
12. Koenig, S., Doganov, R., Schmidt, H., Castro Neto, A. H. & Ozyilmaz, B. Electric field effect in ultrathin black phosphorus. Appl. Phys. Lett. 104, 103106 (2014).
13. Qiao, J., Kong, X., Hu, Z.-X., Yang, F. & Ji, W. High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus. Nat. Commum. 5, 4475 (2014).
14. Morita, A. Semiconducting black phosphorus. Appl. Phys. A 39, 227-242 (1986).
15. Xia, F., Wang, H. & Jia. Y. Rediscovering black phosphorus as an anisotropic layered material for optoelectronics and electronics. Nat. Commun. 5, 4458 (2014).
16. Zhu, Z. & Tomanek, D. Semiconducting Layered Blue Phosphorus: A Computational Study. Phys. Rev. Lett. 112, 176802 (2014).
17. Rodin, A. S., Carvalho, A. & Castro Neto, A. H. Strain-Induced Gap Modification in Black Phosphorus. Phys. Rev. Lett. 112, 176801 (2014).
18. Tran, V., Soklaski, R., Liang, Y., Yang, L. Layer-controlled band gap and anisotropic excitons in few-layer black phosphorus. Phys. Rev. B. 89, 235319 (2014).
19. Fei, R. & Yang, L. Strain-Engineering the Anisotropic Electrical Conductance of Few-Layer Black Phosphorus. Nano Lett. 14, 2884-2889 (2014).
20. Li, P. & Appelbaum, I. Electrons and holes in phosphorene. Phys. Rev. B 90, 115439 (2014).
21. Rudenko, A. N. & Katsnelson, M. I. Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus. Phys. Rev. B 89, 201408 (2014).
22. Cai, Y., Zhang, G. & Zhang, Y. W. Layer-dependent band alignment and work function of few-layer phosphorene. Sci. Rep. 4, 6677 (2014).
23. Liu, Y., Xu, F., Zhang, Z., Penev, E. S. & Yakobson B. I. Two-Dimensional Mono-Elemental Semiconductor with Electronically Inactive Defects: The Case of Phosphorus. Nano Lett. 14, 6782-6786 (2014).
24. Hu, T. & Dong, J. Geometric and electronic structures of mono- and di-vacancies in phosphorene. Nanotechnology 26, 065705 (2015).
25. Wang, V., Kawazoe Y. & Geng, W. T. Native point defects in few-layer phosphorene. Phys. Rev. B. 91, 045433 (2015).
26. Takahashi, T., Tokailin, H., Suzuki, S., Sagawa, T. & Shirotani, I. Highly-angle-resolved ultraviolet photoemission study of a black-phosphorus single crystal. Phys. Rev. B 29, 1105 (1984).
27. Han, C. Q. et al. Electronic structure of black phosphorus studied by angle-resolved photoemission spectroscopy. Phys. Rev. B 90, 085101 (2014)
28. Cartz, L., Srinivasa, S. R., Riedner, R. J., Jorgensen, J. D., Worlton, T. G. Effect of pressure on bonding in black phosphorus. J. Chem. Phys. 71, 1718-1721 (1979).
29. Cakir, D., Sahin, H., Peeters, F. R., Tuning of the electronic and optical properties of single-layer black phosphorus by strain. Phys. Rev. B 90, 205421 (2014).
30. Jiang, J. W. & Park, H. S. Negative Poisson's ratio in single-layer black phosphorus. Nat. Commum. 5, 4727 (2014).
31. Qin, G. et al. Hinge-like structure induced unusual properties of black phosphorus and new strategies to improve the thermoelectric performance. Sci. Rep. 4, 6949 (2014).
32. 2. Phys. Rev. B 85, 205302 (2012).
33. 2: many-body effects and diversity of exciton states. Phys. Rev. Lett. 111, 216805 (2014).
34. 2 and its electrical contacts. Appl. Phys. Lett. 103, 183113 (2013).
35. Zhang, S. et al. Extraordinary Photoluminescence and Strong Temperature/Angle-Dependent Raman Responses in Few-Layer Phosphorene. ACS Nano 8, 9590-9596 (2014).
36. Yasaei, P. et al. High-Quality Black Phosphorus Atomic Layers by Liquid-Phase Exfoliation. Advanced Materials. 27, 1887-1892 (2015).
37. Robertson, J. Band offsets of wide-band-gap oxides and implications for future electronic devices. J. Vac. Sci. Technol. B 18, 1785 (2000).
38. Robertson, J. Band offsets, Schottky barrier heights, and their effects on electronic devices. J. Vac. Sci. Technol. A 31, 050821 (2013).
39. Yazyev, O. & Helm, L. Defect-induced magnetism in graphene. Phys. Rev. B 75, 125408 (2007).
40. Banhart, F., Kotakoski, J. & Krasheninnkov, A. V. Structural defects in graphene. ACS Nano 5, 26-41 (2010).
41. Mott, N. F. Electrons in disordered structures. Adv. Phys. 16, 49-144 (1967).
42. Robertson, J. Defects in amorphous semiconductors. Phil. Mag. B 51, 183-192 (1985).
43. Chadi, D. J., Chang, K. J. Theory of the atomic and electronic Structure of DX Centers in GaAs and Phys. Rev. Lett. 61, 873 (1988).
44. Zhang, S. B., Wei, S. H. & Zunger, A. microscopic origin of the phenomenological equilibrium "doping limit rule" in n-type III-V semiconductors. Phys. Rev. Lett. 84, 1232 (2000).
45. Clark, S. J. et al. First principles methods using CASTEP. Kristallogr. 220, 567-570 (2005).
46. Grimme, S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comp. Chem. 27, 1787-1799 (2006).
47. McNellis, E. R., Meyer, J. & Reuter, K. Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions. Phys. Rev. B 80, 205414 (2009).
48. Clark S. J. & Robertson, J. Screened exchange density functional applied to solids. Phys. Rev. B 82, 085208 (2010).
49. Lany, S. & Zunger, A. Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs. Phys. Rev B 78, 235104 (2008).