GGA+U Molecular Dynamics Study of Structural and Dynamic Properties of Superionic Conductor Ag2Se
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DOI: 10.7566/jpsj.88.115002
Abstract: The structural and dynamic properties of the superionic phase of Ag2Se are investigated by ab initio molecular dynamics simulations. Our results demonstrate that the Hubbard on-site Coulomb interac... read more here.
Keywords: molecular dynamics; dynamic properties; structural dynamic; properties superionic ... See more keywords