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- W2353377498 abstract "The transition phase of SrS from NaCl structure(B1) to CsCl structure(B2) is investigated by ab initio plane-wave pseudopotential density functional theory method,and the elastic properties of the B1 and B2 structures are obtained through the quasi-harmonic Debye model.At zero-temperature,the calculated transition pressure 17.9 GPa,which agrees well with the experiment and those calculated by others.The transition pressure varies non-linearly with temperature,and the pressure of the mechanical instability increases linearly with temperature increasing." @default.
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- W2353377498 date "2007-01-01" @default.
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- W2353377498 title "Transition phase and elastic properties of SrS via first-principles calculations" @default.
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