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First-principle study of the physics properties of DO3–Mg3Nd compound under high pressure

✍ Scribed by Zhang, Xudong; Ying, Caihong; Jiang, Wei; Shi, Haifeng


Book ID
127354444
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
587 KB
Volume
73
Category
Article
ISSN
0749-6036

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The structural, elastic, electronic, optical and thermodynamic properties of the perovskite chloride CsCdCl 3 were investigated using the pseudo-potential plane wave (PP-PW) within the Generalized Gradient Approximation (GGA) and Local Density Approximation (LDA). The computed lattice parameter agre