Electronic structure and optical conductivity of two dimensional (2D) MoS2: Pseudopotential DFT versus full potential calculations

AIP Conference Proceedings

Volumn 1447, Issue 1, 2012, Pages 1269-1270

  Kumar, Ashok ^a   Kumar, Jagdish ^a,b   Ahluwalia, P K ^a  

^a HIMACHAL PRADESH UNIVERSITY   (India)

^b NATIONAL PHYSICAL LABORATORY   (India)

Author keywords

Band structure; DFT; GGA; NAOs; PDOS; Pseudopotential; TMDCs

Indexed keywords

EID: 84874858667     PISSN: 0094243X     EISSN: 15517616     Source Type: Conference Proceeding    
DOI: 10.1063/1.4710474     Document Type: Conference Paper

References (9)

1. B. Radisavljevic et. al., Nature Nanotechnology 6, 147 (2011).
2. K. F. Mak et. al., Phys. Rev. Letters 105, 136805 (2010).
3. C. Ataca et. al., J. Phy. Chem., 115, 3934 (2011)
4. 115,13303 (2011).
5. H.S.S.R. Matte et. al., Angew. Chem. Int. Ed. 49, 4059 (2010).
6. J. He et. al., App. Phy. Lett., 96, 082504 (2010).
7. A. Enyashin et. al., Eur. Physical J., 149, 103 (2007).
8. J. M. Soler et. al., J. Phys.: Condens. Matter 14, 2745 (2002).
9. http://elk.sourceforge.net/