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Structural, electronic, elastic and thermal properties of Mg2Si

โœ Scribed by Benhai Yu; Dong Chen; Qingbin Tang; Chunlei Wang; Deheng Shi

Book ID
108191722
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
577 KB
Volume
71
Category
Article
ISSN
0022-3697

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Structural, elastic, and electronic properties of orthorhombic Pbnm CaTiO 3 are studied using both full potential linearized augmented plane wave (FP-LAPW) and plane-wave pseudopotential (PW-PP) methods. Exchange-correlation effects are treated by the generalized gradient approximation (GGA). The eq