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Ab initio study of some fundamental physical properties of the cubic inverse-perovskite Mn3ZnC and Mn3GeC

✍ Scribed by A. Bouhemadou; M.A. Ghebouli; G. Uğur; Ş. Uğur; B. Ghebouli; R. Khenata; S. Bin-Omran

Book ID
116376204
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
945 KB
Volume
58
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