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First-principle study of structural, electronic and elastic properties of SrS, SrSe and SrTe under pressure

✍ Scribed by R. Khenata; H. Baltache; M. Rérat; M. Driz; M. Sahnoun; B. Bouhafs; B. Abbar


Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
223 KB
Volume
339
Category
Article
ISSN
0921-4526

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First principles calculations of structu
✍ S. Labidi; H. Meradji; M. Labidi; S. Ghemid; S. Drablia; F. El Haj Hassan 📂 Article 📅 2009 🏛 Elsevier 🌐 English ⚖ 320 KB

The ab initio full potential linearized augmented plane wave (FP-LAPW) method within density functional theory was applied to study the structural and electronic properties of the compounds SrS, SrSe, SrTe and their alloy SrS 1-x Se x in the NaCl structure. Results are obtained using both the local