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Structural, Electronic and Optical Properties of High (γ)-Li2BeSiO4: First-Principles Calculations

✍ Scribed by Liu, Qi Jun; Liu, Zheng Tang; Feng, Li Ping; Tian, Hao


Book ID
120416414
Publisher
Trans Tech Publications, Ltd.
Year
2011
Tongue
English
Weight
394 KB
Volume
197-198
Category
Article
ISSN
1662-8958

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Electronic structure and optical properties of CuGaS 2 are calculated using the full potential linearized augmented plane wave plus local orbitals method. The calculated equilibrium lattice is in reasonable agreement with the experimental data. The electronic structures indicate that CuGaS 2 is a se