First-principles study of the electronic structure, charge density, Fermi surface and optical properties of zintl phases compounds Sr2ZnA 2 (A=P, As and Sb)

Journal of Magnetism and Magnetic Materials

Volumn 345, Issue , 2013, Pages 294-303

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

^a UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^b UNIVERSITY MALAYSIA PERLIS   (Malaysia)

Author keywords

EVGGA; GGA; LDA; MBJ: DFT; Zintl phases compound

Indexed keywords

CALCULATIONS; CHARGE DENSITY; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; FERMI SURFACE; LOCAL DENSITY APPROXIMATION; SPECIFIC HEAT; ZINC;

ELECTRONIC CHARGE DENSITY; ELECTRONIC SPECIFIC HEAT COEFFICIENT; EVGGA; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; MBJ: DFT; ZINTL PHASIS;

OPTICAL PROPERTIES;

EID: 84885137946     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2013.06.021     Document Type: Article

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