First principle local density approximation description of the electronic properties of ferroelectric sodium nitrite

Materials Chemistry and Physics

Volumn 136, Issue 2-3, 2012, Pages 1137-1142

  Ekuma, C E ^a   Jarrell, M ^a   Moreno, J ^a   Franklin, L ^b   Zhao, G L ^b   Wang, J T ^b   Bagayoko, D ^b  

^a LOUISIANA STATE UNIVERSITY   (United States)

^b SOUTHERN UNIVERSITY   (United States)

Author keywords

Ab initio calculations; Band structure; Electronic materials; Inorganic compounds; Insulators

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; ANIONIC STATE; DENSITIES OF STATE; DENSITY OF STATE; ELECTRON EFFECTIVE MASS; ELECTRONIC MATERIALS; FERROELECTRIC CRYSTAL; INDIRECT BAND GAP; KOHN SHAM EQUATIONS; LINEAR COMBINATION OF ATOMIC ORBITALS; LOCAL DENSITY; LOCAL DENSITY FUNCTIONAL APPROXIMATIONS; MOLECULAR SOLID; PARTIAL DENSITY OF STATE; SODIUM NITRITE; WILLIAMS;

CALCULATIONS; ELECTRIC INSULATORS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; INORGANIC COMPOUNDS; QUANTUM CHEMISTRY; SODIUM;

DENSITY FUNCTIONAL THEORY;

EID: 84867396428     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2012.08.066     Document Type: Article

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