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 structure and optical properties of CaTiO3
โ Scribed by S. Saha; T.P. Sinha; A. Mookerjee
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 247 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1434-6036
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