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 electronic and optical properties of zincblende InP
โ Scribed by Zhenbao Feng; Haiquan Hu; Shouxin Cui; Wenjun Wang
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 221 KB
- Volume
- 404
- Category
- Article
- ISSN
- 0921-4526
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