First-principles study on the structural, elastic, and electronic properties of γ-LiAlO2

Computational Materials Science

Volumn 46, Issue 1, 2009, Pages 221-224

  Wu, S Q ^a   Hou, Z F ^b   Zhu, Z Z ^a  

^a XIAMEN UNIVERSITY   (China)

^b FUDAN UNIVERSITY   (China)

Author keywords

LiAlO2; Ab initio calculations; Elastic properties; Electronic structures; Substrate

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIRECT BAND GAP; ELASTIC PROPERTIES; EXPERIMENTAL DATA; FIRST-PRINCIPLES STUDY; SECOND DERIVATIVES; STRUCTURAL PARAMETER; TOTAL ENERGY;

DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTICITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LITHIUM ALLOYS; MECHANICAL STABILITY;

STRUCTURAL PROPERTIES;

EID: 67349169120     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.02.028     Document Type: Article

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