First principles studies of band structure and electronic properties of ZnSe

Journal of Alloys and Compounds

Volumn 513, Issue , 2012, Pages 294-299

  Adetunji, B I ^a   Adebambo, P O ^a   Adebayo, G A ^a,b  

^a FEDERAL UNIVERSITY OF AGRICULTURE   (Nigeria)

^b ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

Author keywords

Band structure; Density functional theory; Electronic properties; First principles calculations; Generalized gradient approximation; Local density approximation

Indexed keywords

DENSITY FUNCTIONALS; DENSITY OF STATE; ELECTRON CHARGE DENSITY; ELECTRONIC BAND STRUCTURE; EXCHANGE-CORRELATION POTENTIAL; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GAMMA POINT; GENERALIZED GRADIENT APPROXIMATIONS; HIGH SYMMETRY; LOCAL DENSITY; LONGITUDINAL MODES; PEAK SPLIT; PHONON DISPERSIONS; PRESSURE DERIVATIVES; PROJECTED DENSITY OF STATE; SPLIT PEAK; TRANSVERSE MODE;

BAND STRUCTURE; CALCULATIONS; LOCAL DENSITY APPROXIMATION;

ELECTRONIC PROPERTIES;

EID: 83555164689     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2011.10.039     Document Type: Article

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