Electronic and optical properties of Ba(1-x)Ca(x) TiO3 and Ba(1-x)Sr(x)TiO3

The effect of Ca and Sr-doping on the structural electronic and optical properties of the cubic Ba1-xCaxTiO3 and Ba1-xSrxTiO3 (x=0.4, 0.6) mixed crystals was investigated using first-principles calculations based on density functional theory (DFT). The calculated band structures based on the optimiz...

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Bibliografski detalji

Glavni autori:	Abdesselam Belaaraj, Obaida Tahiri, Said Kassou, Rajae El Mrabet
Format:	Artigo
Jezik:	Inglês
Izdano:	Collaborating Academics IP 2018-05-01
Serija:	Materials and Devices
Teme:	DFT calculations band gap density of states optical properties
Online pristup:	https://www.caip.co-ac.com/index.php/materialsanddevices/article/view/61
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