Thickness dependence of spin polarization and electronic structure of ultra-thin films of MoS2 and related transition-metal dichalcogenides

Scientific Reports

Volumn 4, Issue , 2014, Pages

  Chang, Tay Rong ^a   Lin, Hsin ^b   Jeng, Horng Tay ^a,d   Bansil, A ^c  

^a NATIONAL TSING HUA UNIVERSITY   (Taiwan)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^c NORTHEASTERN UNIVERSITY   (United States)

^d INSTITUTE OF PHYSICS   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84923253863     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/srep06270     Document Type: Article

References (46)

1. Novoselov, K. S. et al. Electric Field Effect in Atomically Thin Carbon Films. Science 306, 666 (2004).
2. Bolotin, K. I. et al. Ultrahigh electron mobility in suspended graphene. Solid State Commun. 146, 351 (2008).
3. Novoselov, K. S. et al. Two-dimensional gas of massless Dirac fermions in graphene. Nature 438, 197 (2005).
4. Zhang, Y., Tan, Y.-W., Stormer, H. L. & Kim, P. Experimental observation of the quantum Hall effect and Berry's phase in graphene. Nature 438, 201 (2005).
5. Du, X., Skachko, I., Duerr, F., Luican, A. & Andrei, E. Y. Fractional quantum Hall effect and insulating phase of Dirac electrons in graphene. Nature 462, 192 (2009).
6. Castro Neto, A. H., Guinea, F., Peres, M. R., Novoselov, K. S. & Geim, A. K. The electronic properties of graphene. Rev. Mod. Phys. 81, 109 (2009).
7. König, M. et al. Quantum Spin Hall Insulator State in HgTe Quantum Wells. Science 318, 766-770 (2007).
8. Bernevig, B. A., Hughes, T. L. & Zhang, S.-C. Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells. Science 314, 1757-1761 (2006).
9. Vogt, R. et al. Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon. Phys. Rev. Lett. 108, 155501 (2012).
10. 2. I. Band-structure calculations and photoelectron spectroscopy. Phys. Rev. B 35, 6195 (1987).
11. Dickinson, R. G. & Pauling, L. The Crystal structure of Molybdenite. J. Am. Chem. Soc. 45, 1466 (1923).
12. Bronsema, K. D., de Boer, J. L. & Jellinek, F. On the structure of molybdenum diselenide and disulphide. Z. Anorg. Alg. Chem. 540/541, 15 (1986).
13. Liu, C.-C., Feng, W. & Yao, Y. Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium. Phys. Rev. Lett. 107, 076802 (2011).
14. Liu, C.-C., Jiang, H. & Yao, Y. Low-energy effective Hamiltonian involving spin-orbit coupling in silicene and two-dimensional germanium and tin. Phys. Rev. B. 84, 195430 (2011).
15. Tsai, W.-F. et al. Gated silicene as a tunable source of nearly 100% spin-polarized electrons. Nature Commun. 4, 1500 (2013).
16. 2 transistors. Nature Nanotech. 6, 147 (2011).
17. Li, T. & Galli, G. Electronic Properties of MoS2 Nanoparticles. J. Phys. Chem. C 111, 16192 (2007).
18. Lebegue, S. & Eriksson, O. Electronic structure of two-dimensional crystals from ab initio theory. Phys. Rev. B 79, 115409 (2009).
19. Zhu, Z. Y., Cheng, Y. C. & Schwingenschlögl, U. Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors. Phys. Rev. B 84, 153402 (2011).
20. Splendiani, A. et al. Emerging Photoluminescence in Monolayer MoS2. Nano Lett. 10, 1271 (2010).
21. 2: A New Direct-Gap Semiconductor. Phys. Rev. Lett. 105, 136805 (2010).
22. 2monolayers by optical pumping. Nature Nanotech. 7, 490 (2012).
23. 2 by optical helicity. Nature Nanotech. 7, 494 (2012).
24. 2. Nature Phy. 9, 149 (2013).
25. 2systems. Phys. Rev. B 87, 100401(R) (2013).
26. Cheng, Y. C., Zhang, Q. Y. & Schwingenschlogl, U. Valley polarization in magnetically doped single-layer transition-metal dichalcogenides. Phys. Rev. B 89, 155429 (2014).
27. 2. RSC Adv. 2, 7798 (2012).
28. Cheng, Y. C., Zhu, Z. Y., Tahir, M. & Schwingenschlogl, U. Spin-orbit induced spin splittings in polar transition metal dichalcogenide monolayers. Europhys. Lett. 102, 57001 (2013).
29. 2 Trilayer. Phys. Rev. Lett. 110, 066803 (2013).
30. Ye, J. T. et al. Superconducting Dome in a Gate-Tuned Band Insulator. Science 38, 1193 (2012).
31. Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B. 50, 17953 (1994).
32. Kresse, G. & Joubert, J. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B. 59, 1758 (1999).
33. Kress, G. & Hafner, J. Ab initio molecular dynamics for open-shell transition metals. Phys. Rev. B. 48, 13115 (1993).
34. Kress, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15 (1996).
35. Kress, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B. 54, 11169 (1996).
36. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 77, 3865 (1996).
37. 2. J. Phys. C: Solid State Phys. 290, 6159 (1987).
38. Bromley, R. A., Murray, R. B. & Yoffe, A. D. The band structures of some transition metal dichalcogenides. III. Group VIA: trigonal prism materials. J. Phys. C 5, 759 (1972).
39. Feng, W. et al. K-edge x-ray absorption spectra in transition-metal oxides beyond the single-particle approximation: Shake-up many-body effects. Phys. Rev. B 86, 165102 (2012).
40. 2 and Other Group-VI Dichalcogenides. Phys. Rev. Lett. 108, 196802 (2012).
41. Zeng, H. et al. Optical signature of symmetry variations and spin-valley coupling in atomically thin tungsten dichalcogenides. Sci. Rep. 3, 1608 (2013).
42. Gong, Z. et al. Magnetoelectric effects and valley-controlled spin quantum gates in transition metal dichalcogenide bilayers. Nature Commun. 4, 2053 (2013).
43. 2. Nature Phys. 10, 130 (2014).
44. 4. Phys. Rev. Lett. 95, 157601 (2005).
45. Alfredsson, M. et al. Structural and magnetic phase transitions in simple oxides using hybrid functionals. Mol. Simulat. 31, 367 (2005).
46. 2. Nature Nanotech. 9, 111 (2014).