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• W2008693457 abstract "The structural stability, electronic and elastic properties of ScN under high pressure were investigated by using full-potential linearized augmented plane-wave (FP-LAPW) method. Our calculations indicate that there exists a pressure-induced structural phase transformation from the ambient rock-salt (B1) phase to CsCl-type (B2) phase above 335 GPa. The origin of moderate high bulk modulus, mechanical and high melting point was analyzed by electronic properties. The variations of elastic constants (Cij) with volume and pressure have been investigated. Moreover, the volume dependencies of Debye temperature, the longitudinal and transverse elastic wave velocities have been presented." @default.
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• W2008693457 date "2010-06-01" @default.
• W2008693457 modified "2023-09-28" @default.
• W2008693457 title "Phase stability, electronic and elastic properties of ScN" @default.
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• W2008693457 doi "https://doi.org/10.1016/j.physb.2010.03.042" @default.
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