Interlayer electronic coupling in arbitrarily stacked MoS2 bilayers controlled by interlayer S-S interaction

Journal of Physical Chemistry C

Volumn 119, Issue 2, 2015, Pages 1247-1252

  Cao, Boxiao ^a   Li, Tianshu ^a  

^a The George Washington University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANGULAR DISTRIBUTION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; PHOTOLUMINESCENCE SPECTROSCOPY; SULFUR; TRANSITION METALS;

ANGULAR DEPENDENCE; COMMENSURATE STRUCTURE; COUPLING STRENGTHS; ELECTRONIC COUPLING; IN-PLANE DISPLACEMENT; INCOMMENSURATE STRUCTURE; OUT-OF-PLANE DISPLACEMENT; TRANSITION METAL DICHALCOGENIDES;

MOLYBDENUM COMPOUNDS;

EID: 84921310717     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5101736     Document Type: Article

References (18)

1. 2 transistors. Nat. Nanotechnol. 2011, 6, 147-150.
2. 2 thin-film transistors with ion gel dielectrics. Nano Lett. 2012, 12, 4013-4017.
3. Cao, T.; Wang, G.; Han, W.; Ye, H.; Zhu, C.; Shi, J.; Niu, Q.; Tan, P.; Wang, E.; Liu, B.; et al. Valley-selective circular dichroism of monolayer molybdenum disulphide. Nat. Commun. 2012, 3, 887.
4. 2 by optical helicity. Nat. Nanotechnol. 2012, 7, 494-498.
5. 2 monolayers by optical pumping. Nat. Nanotechnol. 2012, 7, 490-493.
6. 2 nanosheets for hydrogen evolution. Nat. Mater. 2013, 12, 850-855.
7. 2 nanoparticles. J. Phys. Chem. C 2007, 111, 16192-16196.
8. 2. Nano Lett. 2010, 10, 1271-1275.
9. 2: A new direct-gap semiconductor. Phys. Rev. Lett. 2010, 105, 136805.
10. van der Zande, A. M.; Kunstmann, J.; Chernikov, A.; Chenet, D. A.; You, Y.; Zhang, X.; Huang, P. Y.; Berkelbach, T. C.; Wang, L.; Zhang, F.; et al. Tailoring the electronic structure in bilayer molybdenum disulfide via interlayer twist. Nano Lett. 2014, 14, 3869-3875.
11. 2 using photoluminescence spectroscopy. Nano Lett. 2014, 14, 5500-5508.
12. Liu, K.; Zhang, L.; Cao, T.; Jin, C.; Qiu, D.; Zhou, Q.; Zettl, A.; Yang, P.; Louie, S. G.; Wang, F. Evolution of interlayer coupling in twisted molybdenum disulfide bilayers. Nat. Commun. 2014, 5, 4966-4966.
13. Kresse, G.; Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 1993, 47, 558.
14. Kresse, G.; Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 1996, 6, 15-50.
15. Kresse, G.; Furthmuller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 1996, 54, 11169-11186.
16. Perdew, J.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77, 3865-3868.
17. Blöchl, P. Projector augmented-wave method. Phys. Rev. B 1994, 50, 17953-17979.
18. Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 1999, 59, 1758-1775.