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First-principles study on the electronic and optical properties of SnxGe1 − x

✍ Scribed by Gang Wang; Song Wu; Z.H. Geng; S.Y. Wang; Liang-Yao Chen; Yu Jia


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
437 KB
Volume
283
Category
Article
ISSN
0030-4018

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✍ Wen Gu; Song-You Wang; Ming Xu; Yue-Rui Chen; Liang-Yao Chen; Yu Jia 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 386 KB

The electronic and optical properties of BaM x O 1Àx (M = S, Se, Te) have been studied by using the density functional theory implemented with the GGA-PW91 method. The calculated results show that the lattice constant of BaM x O 1Àx obeys the Vegard model while the energy gap of BaM x O 1Àx shows a