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
Structural, electronic and optical properties of orthorhombic from first principles calculations
โ Scribed by C.A. Barboza; J.M. Henriques; E.L. Albuquerque; E.W.S. Caetano; V.N. Freire; J.A.P. da Costa
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 526 KB
- Volume
- 183
- Category
- Article
- ISSN
- 0022-4596
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