Electronic structure, effective mass, and optical dispersion of 2-mercapto-5-methyl-1,3,4-thiadiazole: Density functional theory calculations

Materials Science in Semiconductor Processing

Volumn 26, Issue 1, 2014, Pages 649-656

  Azam, Sikander ^a   Reshak, A H ^a,b  

^a UNIVERSITY OF WEST BOHEMIA   (Czech Republic)

^b UNIVERSITY MALAYSIA PERLIS   (Malaysia)

Author keywords

dispersion of optical parameters; electronic charge density effective mass; electronic structure; FP LAPW

Indexed keywords

BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ORGANIC COMPOUNDS; REFRACTIVE INDEX;

EFFECTIVE MASS; ELECTRONIC BAND STRUCTURE; ELECTRONIC CHARGE DENSITY; EXCHANGE-CORRELATION POTENTIAL; FP-LAPW; GENERALIZED GRADIENT APPROXIMATIONS; LINEARIZED AUGMENTED PLANE WAVES; OPTICAL PARAMETER; OPTICAL DISPERSION;

DISPERSIONS; ELECTRONIC STRUCTURE;

EID: 84903137664     PISSN: 13698001     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mssp.2014.05.054     Document Type: Article

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