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Computational Design of Silicon Suboxides: Chemical and Mechanical Forces on the Atomic Scale

By: J. Greer; V. Karasiev; Rodney Bartlett; T. Henderson; Gennadi Bersuker; Anatoli Korkin;

2006 / Springer Science+Business Media / 0928-1045

Description

Silicon suboxides play an important role in different industrial applications, particularly in the form of the Si–SiO crystals related to O migration. Our study is based on ab initio computations of molecular and periodic systems with both localized and plane wave basis sets.