collaborators

1 paper

cond-mat.mtrl-sci2018

The impact of Hubbard- and van der Waals-corrections on the DFT calculation of epsilon-zeta transition pressure in solid oxygen

Le The Anh, Masahiro Wada, Hiroshi Fukui +1

The aim of this study is to clarify the physics which governs the transition from epsilon phase to zeta phase of solid oxygen observed experimentally at 96 GPa using density functi…