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Ab initio calculation of the elastic properties and the lattice dynamics of the ZnxCd1−xSe alloy

✍ Scribed by Bouamama, K; Djemia, P; Lebga, N; Kassali, K

Book ID
115546716
Publisher
Institute of Physics
Year
2009
Tongue
English
Weight
296 KB
Volume
24
Category
Article
ISSN
0268-1242

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✍ J. Purton; R. Jones; C. R. A. Catlow; M. Leslie 📂 Article 📅 1993 🏛 Springer-Verlag 🌐 English ⚖ 827 KB

Ab initio LDF theory has been used to derive interatomic potentials for the Si-O and O-O interaction in e-quartz. The potentials have been used to study the lattice dynamical properties of c~-quartz from 1 atm to 12.5 Gpa pressure. The results are compared with other calculated and experimentally de