Prediction study of the elastic and thermodynamic properties of the SnMg 2O 4, SnZn 2O 4 and SnCd 2O 4 spinel oxides

Computational Materials Science

Volumn 60, Issue , 2012, Pages 217-223

  Allali, D ^a   Bouhemadou, A ^a   Zerarga, F ^a   Ghebouli, M A ^b   Bin Omran, S ^c  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITY OF BORDJ BOU ARRERIDJ   (Algeria)

^c KING SAUD UNIVERSITY   (Saudi Arabia)

Author keywords

A. Spinel oxides; B. Ab initio calculations; D. Elastic constants; D. Thermodynamic properties

Indexed keywords

AB INITIO CALCULATIONS; DENSITY-FUNCTIONAL STUDY; EXPERIMENTAL DATA; FIRST-PRINCIPLES; MACROSCOPIC PROPERTIES; NORMAL-SPINEL STRUCTURE; POLYCRYSTALLINE; PRESSURE DEPENDENCE; QUASI-HARMONIC DEBYE MODEL; SPINEL OXIDE; STRUCTURAL PARAMETER; THEORETICAL RESULT;

CALCULATIONS; ELASTIC CONSTANTS; PRESSURE EFFECTS;

THERMODYNAMIC PROPERTIES;

EID: 84860540081     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.03.044     Document Type: Article

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