Band structure tunability in MoS2 under interlayer compression: A DFT and GW study

Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 24, 2013, Pages

  Espejo, C ^a,b   Rangel, T ^c   Romero, A H ^a,d,e   Gonze, X ^c,f   Rignanese, G M ^c,f  

^a DEPARTAMENTO DE FÍSICA   (Mexico)

^b UNIVERSIDAD JORGE TADEO LOZANO   (Colombia)

^c UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^d WEST VIRGINIA UNIVERSITY   (United States)

^e MAX PLANCK INSTITUTE OF MICROSTRUCTURE PHYSICS   (Germany)

^f European Theoretical Spectroscopy Facility   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84879950594     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.87.245114     Document Type: Article

References (48)

1. A. K. Geim and K. S. Novoselov, Nat. Mater. 1476-1122 10.1038/nmat1849 6, 183 (2007). (Pubitemid 46353764)
2. R. Mas-Balleste, C. Gomez-Navarro, J. Gomez-Herrero, and F. Zamora, Nanoscale 2040-3364 10.1039/c0nr00323a 3, 20 (2011).
3. A. Grüneis, C. Attaccalite, A. Rubio, D. V. Vyalikh, S. L. Molodtsov, J. Fink, R. Follath, W. Eberhardt, B. Büchner, and T. Pichler, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.075431 80, 075431 (2009).
4. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, M. I. Katsnelson, I. V. Grigorieva, S. V. Dubonos, and A. A. Firsov, Nature (London) NATUAS 0028-0836 10.1038/nature04233 438, 197 (2005). (Pubitemid 41599867)
5. A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov, and A. K. Geim, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.81.109 81, 109 (2009).
6. P. Avouris and C. Dimitrakopoulos, Mater. Today 1369-7021 10.1016/S1369-7021(12)70044-5 15, 86 (2012).
7. J. N. Coleman, Science SCIEAS 0036-8075 10.1126/science.1194975 331, 568 (2011).
8. B. Radisavljevic, A. Radenovic, J. Brivio, V. Giacometti, and A. Kis, Nat. Nano. 1748-3387 10.1038/nnano.2010.279 6, 147 (2011).
9. K. F. Mak, C. Lee, J. Hone, J. Shan, and T. F. Heinz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.136805 105, 136805 (2010).
10. Y. Ding, Y. Wang, J. Ni, L. Shi, S. Shi, and W. Tang, Physica B PHYBE3 0921-4526 10.1016/j.physb.2011.03.044 406, 2254 (2011).
11. E. S. Kadantsev and P. Hawrylak, Solid State Commun. SSCOA4 0038-1098 10.1016/j.ssc.2012.02.005 152, 909 (2012).
12. S. Lebègue and O. Eriksson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.115409 79, 115409 (2009).
13. T. Böker, R. Severin, A. Müller, C. Janowitz, R. Manzke, D. Voß, P. Krüger, A. Mazur, and J. Pollmann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.64.235305 64, 235305 (2001).
14. T. Li and G. Galli, J. Phys. Chem. C 1932-7447 10.1021/jp075424v 111, 16192 (2007). (Pubitemid 350149949)
15. J. K. Ellis, M. J. Lucero, and G. E. Scuseria, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3672219 99, 261908 (2011).
16. A. Splendiani, L. Sun, Y. Zhang, T. Li, J. Kim, C.-Y. Chim, and G. Galli, and F. Wang, Nano Lett. NALEFD 1530-6984 10.1021/nl903868w 10, 1271 (2010).
17. Z. Yin, H. Li, H. Li, L. Jiang, Y. Shi, Y. Sun, G. Lu, Q. Zhang, X. Chen, and H. Zhang, ACS Nano. 1936-0851 10.1021/nn2024557 6, 74 (2011).
18. H. S. Lee, S.-W. Min, Y.-G. Chang, M. K. Park, T. Nam, H. Kim, J. H. Kim, S. Ryu, and S. Im, Nano Lett. NALEFD 1530-6984 10.1021/nl301485q 12, 3695 (2012).
19. W. S. Yun, S. W. Han, S. C. Hong, I. G. Kim, and J. D. Lee, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.033305 85, 033305 (2012).
20. H. Peelaers and C. G. Van de Walle, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.241401 86, 241401 (2012).
21. E. Scalise, M. Houssa, G. Pourtois, V. Afanasev, and A. Stesmans, Nano Res. 1998-0124 10.1007/s12274-011-0183-0 5, 43 (2012).
22. S. Bhattacharyya and A. K. Singh, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.075454 86, 075454 (2012).
23. A. Ramasubramaniam, D. Naveh, and E. Towe, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.205325 84, 205325 (2011).
24. T. Bučko, J. Hafner, S. Lebègue, and J. G. Ángyán, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp106469x 114, 11814 (2010).
25. J. Klimes and A. Michaelides, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.4754130 137, 120901 (2012).
26. C. Espejo, T. Rangel, Y. Pouillon, A. H. Romero, and X. Gonze, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2011.11.003 183, 480 (2012).
27. P. L. Silvestrelli, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.053002 100, 053002 (2008). (Pubitemid 351230706)
28. P. L. Silvestrelli, J. Phys. Chem. A. JPCAFH 1089-5639 10.1021/jp811138n 113, 5224 (2009).
29. Y. Andersson, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.102 76, 102 (1996).
30. A. A. Mostofi, J. R. Yates, Y.-S. Lee, I. Souza, D. Vanderbilt, and N. Marzari, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2007.11.016 178, 685 (2008).
31. Y. Zhang and W. Yang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.890 80, 890 (1998).
32. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
33. M. J. Oliveira and F. Nogueira, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2007.11.003 178, 524 (2008).
34. S. V. Faleev, M. van Schilfgaarde, and T. Kotani, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.126406 93, 126406 (2004).
35. T. Cheiwchanchamnangij and W. R. L. Lambrecht, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.205302 85, 205302 (2012).
36. R. W. Godby and R. J. Needs, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.1169 62, 1169 (1989).
37. M. Stankovski, G. Antonius, D. Waroquiers, A. Miglio, H. Dixit, K. Sankaran, M. Giantomassi, X. Gonze, M. Côté, and G.-M. Rignanese, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.241201 84, 241201 (2011).
38. A. Miglio, D. Waroquiers, G. Antonius, M. Giantomassi, M. Stankovski, M. Côté, X. Gonze, and G.-M. Rignanese, Eur. Phys. J. B EPJBFY 1434-6028 10.1140/epjb/e2012-30121-4 85, 1 (2012).
39. R. Shaltaf, G.-M. Rignanese, X. Gonze, F. Giustino, and A. Pasquarello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.186401 100, 186401 (2008). (Pubitemid 351654649)
40. M. Fuchs and M. Scheffler, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(98)00201-X 119, 67 (1999).
41. M. van Schilfgaarde, T. Kotani, and S. Faleev, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.226402 96, 226402 (2006). (Pubitemid 43839566)
42. D. R. Hamann and D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.045109 79, 045109 (2009).
43. T. Björkman, A. Gulans, A. V. Krasheninnikov, and R. M. Nieminen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.235502 108, 235502 (2012).
44. D. C. Langreth, M. Dion, H. Rydberg, E. Schrder, P. Hyldgaard, and B. I. Lundqvist, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.20315 101, 599 (2005). (Pubitemid 40264535)
45. S. W. Han, H. Kwon, S. K. Kim, S. Ryu, W. S. Yun, D. H. Kim, J. H. Hwang, J.-S. Kang, J. Baik, H. J. Shin, and S. C. Hong, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.045409 84, 045409 (2011).
46. Y. L. Chen, Z. K. Liu, J. G. Analytis, J.-H. Chu, H. J. Zhang, B. H. Yan, S.-K. Mo, R. G. Moore, D. H. Lu, I. R. Fisher, S. C. Zhang, Z. Hussain, and Z.-X. Shen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.266401 105, 266401 (2010).
47. H. Zhang, C.-X. Liu, X.-L. Qi, X. Dai, Z. Fang, and S.-C. Zhang, Nat. Phys. 1745-2473 10.1038/nphys1270 5, 438 (2009).
48. M. Yankowitz, J. Xue, D. Cormode, J. D. Sanchez-Yamagishi, K. Watanabe, T. Taniguc hi, P. Jarillo-Herrero, P. Jacquod, and B. J. LeRoy, Nat. Phys. 1745-2473 10.1038/nphys2272 8, 382 (2012).