Structural, elastic and electronic properties of the hexagonal anti-perovskites SbNBa3 and BiNBa3

Computational Materials Science

Volumn 48, Issue 4, 2010, Pages 711-718

  Haddadi, K ^a   Bouhemadou, A ^a,b   Louail, L ^a  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b KING SAUD UNIVERSITY   (Saudi Arabia)

Author keywords

Elastic properties; Electronic properties; Perovskite; PP PW method

Indexed keywords

AB INITIO; CHARGE DENSITY DISTRIBUTIONS; DENSITY OF STATE; ELASTIC PARAMETERS; ELASTIC PROPERTIES; ENERGY BAND STRUCTURE; GENERALIZED GRADIENT APPROXIMATIONS; PEROVSKITE COMPOUNDS; PLANE WAVE; POLYCRYSTALLINE; SOUND VELOCITIES; STRUCTURAL PARAMETER;

BAND STRUCTURE; DEBYE TEMPERATURE; ELASTICITY; ELECTRONIC PROPERTIES; OXIDE MINERALS; PEROVSKITE; PRASEODYMIUM COMPOUNDS; PRESSURE EFFECTS;

STRUCTURAL PROPERTIES;

EID: 77955266566     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.03.015     Document Type: Article

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