First principles study of barium chalcogenides

Journal of Physics and Chemistry of Solids

Volumn 69, Issue 11, 2008, Pages 2924-2927

  Gökoǧlu, Gökhan ^a,b  

^a KARABUK UNIVERSITY   (Turkey)

^b BILKENT UNIVERSITY   (Turkey)

Author keywords

Ab initio calculations; Chalcogenides; Elastic properties; Phonons

Indexed keywords

BARIUM; CHALCOGENIDES; DENSITY FUNCTIONAL THEORY; ELASTICITY; INORGANIC COMPOUNDS; PERTURBATION TECHNIQUES; PHONONS; TIME VARYING SYSTEMS;

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL PERTURBATION THEORY; ELASTIC PROPERTIES; GENERALIZED GRADIENT APPROXIMATIONS; LINEAR-RESPONSE APPROACHES; THEORETICAL CALCULATIONS; TOTAL ENERGY CALCULATION; ULTRASOFT PSEUDO POTENTIAL;

CALCULATIONS;

EID: 55349115035     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2008.08.012     Document Type: Article

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