Ab-initio study of structural, electronic, phonon, X-ray spectroscopy, and the optoelectronic properties of D-block metals (Cr, Mn, Co, and Ni) substitution of barium oxide based-perovskites

Ab-initio study of structural, electronic, phonon, X-ray spectroscopy, and the optoelectronic properties of D-block metals (Cr, Mn, Co, and Ni) substitution of barium oxide based-perovskites

Recently, transition metal doped superlattice has shown an anomalous optical band gap of 1.6 eV, about 1 eV lower than either parent element (Barium) majorly, making it appropriate for several applications including magnetism and superconducting materials. In the current study, the structural, elect...

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Bibliographic Details
Main Authors: Ededet A. Eno, Daniel Etiese, Kowthaman Pathmanathan, Ernest C. Agwamba, Udochukwu G. Chukwu, Thomas O. Magu, Alexander I. Ikeuba, Adedapo S Adeyinka, Hitler Louis
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Chemical Physics Impact
Subjects:
Oxide perovskites
Barium oxide
Magnetism
DFT
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423001603

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http://www.sciencedirect.com/science/article/pii/S2667022423001603

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