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Structural and electronic properties of Y2CrS4from first-principles study

โœ Scribed by B.-T. Wang; W. Yin; W.-D. Li; F. Wang


Book ID
111623720
Publisher
Springer
Year
2011
Tongue
English
Weight
287 KB
Volume
80
Category
Article
ISSN
1434-6036

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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