The electronic structure and optical response of rutile, anatase and brookite TiO2.
作者： M Landmann , E Rauls , W G Schmidt
DOI: 10.1088/0953-8984/24/19/195503
关键词: Anatase 、 Electronic band structure 、 Condensed matter physics 、 Density functional theory 、 Electronic structure 、 Quasiparticle 、 Chemistry 、 GW approximation 、 Brookite 、 Rutile
摘要: … well as the tetragonal phases rutile and anatase. The electronic … of brookite with the rutile and anatase phases, which have … in rutile, the anatase units are closer to a T-shape. In brookite…
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