Oxynitride Perovskite: Computational Approach to Correlate Structural, Electronic, and Optical Properties of c‑BiAlO3/N3

A detailed theoretical study is carried out to explore the effects of oxynitrides while considering cubic bismuth aluminate with different concentrations of nitrogen from x = 0 to x = 3. This report evaluates the structural, total, and partial densities of states (TDOS/PDOS), modification in the ele...

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Veröffentlicht in:	ACS applied electronic materials 2022-01, Vol.4 (1), p.375-385
Hauptverfasser:	Naeem, M, Rizwan, M, Bakhtawar, R, Usman, Zahid, Ma, Xilan, Cao, Chuanbao
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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