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Structural and elastic properties of barium chalcogenides (BaX, X=O, Se, Te) under high pressure

✍ Scribed by Bhardwaj, Purvee ;Singh, Sadhna ;Gaur, Neeraj


Book ID
111488910
Publisher
Walter de Gruyter GmbH
Year
2008
Tongue
English
Weight
522 KB
Volume
6
Category
Article
ISSN
2391-5471

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Structural and elastic properties of bar
✍ Bhardwaj, Purvee ;Singh, Sadhna ;Gaur, Neeraj πŸ“‚ Article πŸ“… 2008 πŸ› Walter de Gruyter GmbH 🌐 English βš– 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

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## Abstract The B1 (NaCl) and B2 (CsCl) structure of rare‐earth monochalcogenides XY (X = La, Ce, Eu, and Y = S, Se, and Te) were investigated with the full‐potential linearized‐augmented plane wave (FP‐LAPW) scheme in the frame of the generalized gradient approximation (GGA). The optimized lattice