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...

وصف كامل

التفاصيل البيبلوغرافية
الحاوية / القاعدة:	Results in Physics
المؤلف الرئيسي:	2-s2.0-84995801655
التنسيق:	مقال
اللغة:	English
منشور في:	Elsevier B.V. 2016
الوصول للمادة أونلاين:	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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