Many-body and spin-orbit effects on direct-indirect band gap transition of strained monolayer MoS2 and WS2

Annalen der Physik

Volumn 526, Issue 9-10, 2014, Pages L7-L12

  Wang, Luqing ^a   Kutana, Alex ^a   Yakobson, Boris I ^a,b,c  

^a Rice University   (United States)

^b RICE UNIVERSITY   (United States)

^c RICE UNIVERSITY   (United States)

Author keywords

Band gap; First principles calculations; Monolayer; Quasi particle; Self energy; Spin orbit coupling; Strain; Transition metal dichalcogenides

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; ENERGY GAP; LAYERED SEMICONDUCTORS; MOLYBDENUM COMPOUNDS; MONOLAYERS; STRAIN; SULFUR COMPOUNDS; TRANSITION METALS; TUNGSTEN COMPOUNDS;

DIRECT-TO-INDIRECT GAP TRANSITIONS; FIRST-PRINCIPLES CALCULATION; MOLYBDENUM DISULPHIDE; PHOTO-ELECTRONIC DEVICES; QUASI PARTICLES; SELF ENERGY; TRANSITION METAL DICHALCOGENIDES; TUNGSTEN DISULPHIDE;

SPIN ORBIT COUPLING;

EID: 84908489248     PISSN: 00033804     EISSN: 15213889     Source Type: Journal    
DOI: 10.1002/andp.201400098     Document Type: Article

References (19)

1. S. Bertolazzi, J. Brivio, and A. Kis, ACS Nano 5, 9703 (2011);
2. Q. Ji, Y. Zhang, T. Gao, Y. Zhang, D. Ma, M. Liu, Y. Chen, X. Qiao, P.-H. Tan, M. Kan, J. Feng, Q. Sun, and Z. Liu, Nano Lett. 13, 3870 (2013).
3. H. J. Conley, B. Wang, J. I. Ziegler, R. F. Haglund, S. T. Pantelides, and K. I. Bolotin, Nano Lett. 13(8), 3626 (2013).
4. K. He, C. Poole, K. F. Mak, and J. Shan, Nano Lett. 13(6), 2931 (2013).
5. A. Castellanos-Gomez, R. Roldán, E. Cappelluti, M. Buscema, F. Guinea, H. S. J. van der Zant, and G. A. Steele, Nano Lett. 13(11), 5361 (2013).
6. E. Cappelluti, R. Roldán, J. A. Silva-Guillén, P. Ordejón, and F. Guinea, Phys. Rev. B 88(7), 075409 (2013);
7. T. Li, Phys. Rev. B 85(23), 235407 (2012);
8. Q. Yue, J. Kang, Z. Shao, X. Zhang, S. Chang, G. Wang, S. Qin, and J. Li, Phys. Lett. A 376(12-13), 1166 (2012).
9. H. Shi, H. Pan, Y.-W. Zhang, and B. I. Yakobson, Phys. Rev. B 87(15), 155304 (2013).
10. Q. Zhang, Y. Cheng, L.-Y. Gan, and U. Schwingenschlögl, Phys. Rev. B 88(24), 245447 (2013).
11. G. Kresse and J. Furthmüller, Phys. Rev. B 54(16), 11169 (1996).
12. L. V. Keldysh, JEPT Lett. 29(11), 658 (1979).
13. P. Cudazzo, I. V. Tokatly, and A. Rubio, Phys. Rev. B 84(8), 085406 (2011).
14. T. C. Berkelbach, M. S. Hybertsen, and D. R. Reichman, Phys. Rev. B 88(4), 045318 (2013).
15. S. Chandrasekhar, Astrophys. J. 100, 176 (1944).
16. H. Liu, K. K. A. Antwi, S. Chua, and D. Chi, Nanoscale 6(1), 624 (2014).
17. B. Schönfeld, J. J. Huang, and S. C. Moss, Acta Crystallogr. Sect. B: Struct. Sci. 39(4), 404 (1983).
18. W. J. Schutte, J. L. De Boer, and F. Jellinek, J. Solid State Chem. 70(2), 207 (1987).
19. F. Giustino, S. G. Louie, and M. L. Cohen, Phys. Rev. Lett. 105(26), 265501 (2010).