Graphene and Some of its Structural Analogues: Full-potential Density Functional Theory Calculations

Autor:	Mukhopadhyay, Gautam, Behera, Harihar
Rok vydání:	2013
Předmět:	Condensed Matter - Mesoscale and Nanoscale Physics Condensed Matter - Materials Science
Zdroj:	World Journal of Engineering 10(1) (2013) 39-48. See Errata in "World Journal of Engineering 10(2) (2013) 189-190."
Druh dokumentu:	Working Paper
Popis:	Using full-potential density functional calculations we have investigated the structural and electronic properties of graphene and some of its structural analogues, viz., monolayer (ML) of SiC, GeC, BN, AlN, GaN, ZnO, ZnS and ZnSe. While our calculations corroborate some of the reported results based on different methods, our results on ZnSe, the two dimensional bulk modulus of ML-GeC, ML-AlN, ML-GaN, ML-ZnO and ML-ZnS and the effective masses of the charge carriers in these binary mono-layers are something new. With the current progress in synthesis techniques, some of these new materials may be synthesized in near future for applications in nano-devices. Comment: 16 pages including the cover page, 6 figures. A lot of errors (some of which are significant) in published version in the "World Journal of Engineering" have been rectified in this e-print version
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1303.3885 Zobrazit plný text záznamu View this record from Arxiv