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High pressure induced structural, elastic and electronic properties of Calcium Chalcogenides CaX (X=S, Se and Te) via first-principles calculations

โœ Scribed by Boucenna, S.; Medkour, Y.; Louail, L.; Boucenna, M.; Hachemi, A.; Roumili, A.


Book ID
121716708
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
731 KB
Volume
68
Category
Article
ISSN
0927-0256

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โœ Bhardwaj, Purvee ;Singh, Sadhna ;Gaur, Neeraj ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› Walter de Gruyter GmbH ๐ŸŒ English โš– 522 KB

In the present paper we have investigated the high-pressure, structural phase transition of Barium chalcogenides (BaO, BaSe and BaTe) using a three-body interaction potential (MTBIP) approach, modified by incorporating covalency effects. Phase transition pressures are associated with a sudden collap