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First-principles study on the lattice dynamics and thermodynamic properties of Cu2GeSe3 postprint

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Abstract: principles calculations. The obtained phonon frequencies agree well with the measurements of Raman scattering. The thermodynamic properties are calculated within quasi-harmonic approximation, and the measured lattice thermal conductivity is well reproduce

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[V1] 2017-05-02 12:34:41 ChinaXiv:201705.00524V1 Download
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