| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382870 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠Glassy GeSe4 structure was investigated using molecular dynamics simulations. ⺠We report the existence of long Se chains interconnecting GeSe4 tetrahedra. ⺠The homogeneous model consisting of GeSe4 tetrahedra can be discarded. ⺠A pure phase separation model (GeSe2 and Se) is also highly unlikely. ⺠Different functionals (PW and PBE) lead to consistent structural results.
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Authors
Kateryna Sykina, Eric Furet, Bruno Bureau, Sébastien Le Roux, Carlo Massobrio,