We have investigated the structural parameters, electronic structure and optical properties of orthorhombic SrZrO 3 using the plane-wave ultrasoft pseudopotential technique based on the first-principles densityfunctional theory (DFT). Our calculated structural parameters are in good agreement with t
First-principles study of structural, mechanical, electronic and optical properties of 3R- and 2H-CuGaO2
โ Scribed by Qi-Jun Liu; Zheng-Tang Liu; Ji-Chao Chen; Li-Ping Feng; Hao Tian
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 1001 KB
- Volume
- 406
- Category
- Article
- ISSN
- 0921-4526
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