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First principles calculations of structural, electronic, optical and thermodynamic properties of PbS, SrS and their ternary alloys Pb1−xSrxS

✍ Scribed by S. Labidi; M. Labidi; H. Meradji; S. Ghemid; F. El Haj Hassan


Book ID
116375861
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
433 KB
Volume
50
Category
Article
ISSN
0927-0256

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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