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Showing 1 to 1 of 1 for “"Ab Initio Moleculardynamics"”.
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Properties of Amorphous Transparent Conducting and Semiconducting Oxides from First Principles
… oxides possess properties superior or comparable to their crystalline counterparts. The structure-property relationship in amorphous oxides is not nearly as well understood as in the case of the crystalline transparent conducting oxides. We have employed<i>ab initio</i> molecular dynamics and …