Robust Direct Bandgap Characteristics of One-and Two-Dimensional ReS 2

Scientific Reports

Volumn 5, Issue , 2015, Pages

  Yu, Zhi Gen ^a   Cai, Yongqing ^a   Zhang, Yong Wei ^a  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84941140794     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep13783     Document Type: Article

References (37)

1. Butler, S. Z. et al. Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene. ACS Nano 7, 2898-2926 (2013).
2. Lopez-Sanchez, O., Lembke, D., Kayci, M., Radenovic, A., Kis, A. Ultrasensitive photodetectors based on monolayer MoS2. Nat. Nanotechnol. 8, 497-501 (2013).
3. Baugher, B. W. H., Churchill, H. O. H., Yang, Y., Jarillo-Herrero, P. Optoelectronic devices based on electrically tunable p-n diodes in a monolayer dichalcogenide. Nat. Nanotechnol. 9, 262-267 (2014).
4. Pospischil, A., Furchi, M. M., Mueller, T. Solar-energy conversion and light emission in an atomic monolayer p-n diode. Nat. Nanotechnol. 9, 257-261 (2014).
5. Ross, J. S. et al. Electrically tunable excitonic light-emitting diodes based on monolayer WSe2 p-n junctions. Nat. Nanotechnol. 9, 268-272 (2014).
6. Yun, W. S., Han, S. W., Hong, S. C., Kim, I. G., Lee, J. D. Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H-MX2 semiconductors (M = Mo, W, X = S, Se, Te). Phys. Rev. B 85, 033305 (2012).
7. Geim, A. K., Grigorieva, I. V. Van der Waals heterostructures. Nature 499, 419-425 (2013).
8. Zhang, H., Li, X., Liu, L. Tunable electronic and magnetic properties of WS2 nanoribbons. J. App. Phys. 114, 093710 (2013).
9. Tongay, S., Varnoosfaderani, S. S., Appleton, B. R., Wu, J., Hebard, A. F. Magnetic properties of MoS2: Existence of ferromagnetism, Appl. Phys. Lett. 101, 123105 (2012).
10. Cai, Y., Zhang, G., Zhang, Y.-W. Polarity-reversed robust carrier mobility in monolayer MoS2 nanoribbons. J. Am. Chem. Soc. 136, 6269-6275 (2014).
11. Pan, H., Zhang, Y.-W. Edge-dependent structural, electronic and magnetic properties of MoS2 nanoribbons. J. Mater. Chem. 22, 7280 (2012).
12. Tongay, S. et al. Monolayer behaviour in bulk MoS2 due to electronic and vibrational decoupling. Nature commun. 5, 3252-3257 (2014).
13. Fujita, T. et al. Chemically exfoliated MoS2 nanosheets. Nanoscale 6, 12458-12462 (2014).
14. Ataca, C., Sahin, H., Aktürk, E., Ciraci, S. Mechanical and electronic properties of MoS2 nanoribbons and their defects. J. Phys. Chem. C 115, 3934-3941 (2011).
15. Botello-Méndez, A. R., López-Uriás, F., Terrones, M., Terrones, H. Metallic and ferromagnetic edges in molybdenum disulfide nanoribbons. Nanotechnology 20, 325703 (2009).
16. Li, Y., Zhou, Z., Zhang, S. B., Chen, Z. MoS2 Nanoribbons: High stability and unusual electronic and magnetic properties. J. Am. Chem. Soc. 130, 16739-16744 (2008).
17. Ho, C. H., Huang, Y. S., Liao, P. C., Tiong, K. K. Crystal structure and band-edge transitions of ReS2?xSex layered compounds. J. Phys. Chem. Solids 60, 1797-1804 (1999).
18. Marzik, J. V., Kershaw, R., Dwight, K. Photoelectronic properties of MoS2 and MoSe2 single crystals. J. Solid State Chem. 51, 170-175 (1984).
19. Björkman, T., Gulans, A., Krasheninnikov, A. V., Nieminen, R. M. van der Waals bonding in layered compounds from advanced density-functional first-principles calculations. Phys. Rev. Lett. 108, 235502 (2012).
20. Kaasbjerg, K., Thygesen, K. S., Jacobsen, K. W. Phonon-limited mobility in n-type single-layer MoS2 from first principles. Phys. Rev. B 85, 115317 (2012).
21. Kaasbjerg, K., Thygesen, K. S., Jauho, A.-P. Acoustic phonon limited mobility in two-dimensional semiconductors: Deformation potential and piezoelectric scattering in monolayer MoS2 from first principles. Phys. Rev. B 87, 235312 (2013).
22. Bardeen, J., Shockley, W. Deformation potentials and mobilities in non-polar crystals. Phys. Rev. 80, 72-80 (1950).
23. Price, P. Two-dimensional electron transport in semiconductor layers. I. Phonon scattering. J. Ann. Phys. 133, 217-239 (1981).
24. Xi, J., Long, M., Tang, L., Wang, D., Shuai, Z. First-principles prediction of charge mobility in carbon and organic nanomaterials. Nanoscale 4, 4348-4369 (2012).
25. Ouyang, F. et al. Effects of edge hydrogenation on structural stability, electronic, and magnetic properties of WS2 nanoribbons. J. Appl. Phys. 114, 213701 (2013).
26. Schweiger, H., Raybaud, P. Kresse, G., Toulhoat, H. Shape and edge sites modifications of MoS2 catalytic nanoparticles induced by working conditions: A theoretical study. J. Catal. 207, 76-87 (2002).
27. Tiong, K. K., Ho, C. H., Huang, Y. S. The electrical transport properties of MoS2 and MoSe2 layered crystals. Solid State commun. 111, 635-640 (1999).
28. Fivaz, R., Mooser, E. Mobility of charge carriers in semiconducting layer structures. Phys. Rev. B 163, 743 (1967).
29. Novoselov, K. S. et al. Two-dimensional atomic crystals. Proc. Natl. Acad. Sci. USA 102, 10451-10453 (2005).
30. Ayari, A., Cobas, E., Ogundadegbe, O., Fuhrer, M. S. Realization and electrical characterization of ultrathin crystals of layered transition-metal dichalcogenides. J. Appl Phys. 101, 014507 (2007).
31. Radisavljevic, B., Whitwick, M. B., Kis, A. Integrated circuits and logic operations based on single-layer MoS2. ACS Nano 5, 9934-9938 (2011).
32. Mak, K. F., Lee, C., Hone, J., Shan, J., Heinz, T. F. Atomically thin MoS2: A new direct-gap semiconductor. Phys. Rev. Lett. 105, 136805 (2010).
33. Tongay, S. et al. Thermally driven crossover from indirect toward direct bandgap in 2D semiconductors: MoSe2 versus MoS2. Nano Lett. 12, 5576-5580 (2012).
34. Perdew, J. P., Burke, K., Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. lett. 77, 3865 (1996).
35. Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953 (1994).
36. Kresse, G., Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. J. Comput. Mater. Sci. 6, 15 (1996).
37. Klimeš, J., Bowler, D. R., Michealides, A. Van der Waals density functionals applied to solids. Phys. Rev. B 83, 195131 (2011).