Thermodynamic properties of OsB under hi
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Hai-Hua Chen; Zuo Li; Yan Cheng; Yan Bi; Ling-Cang Cai
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Article
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2011
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Elsevier Science
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English
โ 580 KB
The energy-volume curves of OsB have been obtained using the first-principles plane-wave ultrasoftpseudopotential density functional theory (DFT) within the generalized gradient approximation (GGA) and local density approximation (LDA). Using the quasi-harmonic Debye model we first analyze the speci