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Ab initio prediction of elastic and thermal properties of cubic TiO2

✍ Scribed by R. Miloua; Z. Kebbab; N. Benramdane; M. Khadraoui; F. Chiker

Book ID
116375930
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
413 KB
Volume
50
Category
Article
ISSN
0927-0256

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The structural, elastic and electronic properties of intermetallic SnAMn 3 compounds with the cubic antiperovskite structure have been investigated, by employing ab initio calculations. The elastic constants and their pressure dependence are calculated using the static finite strain technique. We de