Hubbard U calculations on optical properties of 3d transition metal oxide TiO2

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Hubbard U calculations on optical properties of 3d transition metal oxide TiO2

The optical properties of titanium dioxide (TiO2) in rutile, anatase and brookite phases were investigated via density functional theory (DFT) framework. The Hubbard U term in Ti 3d electrons of the TiO2 phases was introduced to observe the optical behavior with the effect of U parameter. The calcul...

書目詳細資料
發表在:	Results in Physics
主要作者:	2-s2.0-84995801655
格式:	Article
語言:	English
出版:	Elsevier B.V. 2016
在線閱讀:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-84995801655&doi=10.1016%2fj.rinp.2016.11.006&partnerID=40&md5=a7ff6d5aee5f2999e3b198d4d9da3fae

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