Computational study of the physical characteristics of Si-based oxide perovskites for energy generation using DFT

SiMO 3 (M = Sn, Ge) silicon-based oxide perovskite compounds are studied using density functional theory (DFT) and Wien2k software to examine their structural, elastic, optical, and electronic properties. The Birch-Murnaghan equation is used to optimize SiSnO 3 and SiGeO 3 compounds and deliver stru...

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Veröffentlicht in:	Materials advances 2023-12, Vol.4 (24), p.6645-6654
Hauptverfasser:	Pasha, Amjad Ali, Khan, Hukam, Sohail, Mohammad, Rahman, Nasir, Khan, Rajwali, Alsalmi, Omar H, Abduvalieva, Dilsora, Abualnaja, Khamael M, El Jery, Atef, Adrdery, Mouataz
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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