A first-principles study on the existence and structures of the lighter alkaline-earth pernitrides

Journal of Computational Chemistry

Volumn 31, Issue 8, 2010, Pages 1613-1617

  Wessel, Michafx ^a   Dronskowski, Richard ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Alkaline earth metals; Crystal; Density functional theory; Electronic structure; Pernitrides; Stability; Structure

Indexed keywords

ALKALINE EARTH; ANIONIC CHARGE; BULK MODULUS; COORDINATION NUMBER; CRYSTAL DENSITY; DENSITY FUNCTIONALS; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES STUDY; STABILITY STRUCTURES;

CRYSTAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; DYES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; METALLIC COMPOUNDS; PRECIOUS METALS; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

CRYSTAL STRUCTURE;

EID: 77952382781     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21444     Document Type: Article

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