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Ab initio calculations in the virtual-crystal approximation of the structural and the elastic properties of BeS x Se 1− x alloys under high pressure

✍ Scribed by Bouamama, Kh; Daoud, K; Kassali, K

Book ID
121476740
Publisher
Institute of Physics
Year
2005
Tongue
English
Weight
208 KB
Volume
13
Category
Article
ISSN
0965-0393

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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