Investigation of Structural, Mechanical, Optoelectronic, and Thermoelectric Properties of BaXF(3) (X = Co, Ir) Fluoro-Perovskites: Promising Materials for Optoelectronic and Thermoelectric Applications

[Image: see text] Coded within Wien2K, we carry out DFT-based calculations for investigations of the structural, elastic, optoelectronic, and thermoelectric properties of BaXF(3) (X = Co, Ir) fluoro-perovskites. The Birch–Murnaghan fit to the energy-vs-volume data and formation energy shows that the...

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Detalles Bibliográficos
Autores principales: Khattak, Shaukat Ali, Abohashrh, Mohammed, Ahmad, Imtiaz, Husain, Mudasser, Ullah, Irfan, Zulfiqar, Syed, Rooh, Gul, Rahman, Nasir, Khan, Gulzar, Khan, Tahirzeb, Salman Khan, Muhammad, Shah, Said Karim, Tirth, Vineet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9933232/
https://www.ncbi.nlm.nih.gov/pubmed/36816671
http://dx.doi.org/10.1021/acsomega.2c05845

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