collaborators

1 paper

cond-mat.mtrl-sci2018

First-principles study of phonon anharmonicity and negative thermal expansion in ScF3

Yusuke Oba, Terumasa Tadano, Ryosuke Akashi +1

The microscopic origin of the large negative thermal expansion of cubic scandium trifluorides (ScF3) is investigated by performing a set of anharmonic free-energy calculations base…