Structural, Dynamic, and Vibrational Properties during Heat Transfer in Si/Ge Superlattices: A Car-Parrinello Molecular Dynamics Study

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Ji, Pengfei; Zhang, Yuwen; Yang, Mo;
(2016)
  • Related identifiers: doi: 10.1063/1.4850935
  • Subject: Physics - Computational Physics | Condensed Matter - Materials Science
    arxiv: Condensed Matter::Materials Science

The structural, dynamic, and vibrational properties during the heat transfer process in Si/Ge superlattices, are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean squ... View more
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