Investigation of structural, opto-electronic, mechanical and thermoelectric properties of Rb-based fluoro-perovskites RbXF3 (X = Rh, Os, Ir) via first-principles calculations

Investigation of structural, opto-electronic, mechanical and thermoelectric properties of Rb-based fluoro-perovskites RbXF3 (X = Rh, Os, Ir) via first-principles calculations

A theoretical study on Rb-based fluorperovskites RbXF3(X = Rh, Os, Ir) is performed for the first time to explore their structural, electronic, optical and thermoelectric properties. The compounds are stable in cubic perovskite type structures with lattice spacing in the range of 4.30 4.35 Å. RbRhF3...

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Bibliographic Details
Main Authors: Umar Ayaz Khan, Abdullah, Mahidur R. Sarker, Naimat Ullah Khan, Sajid Khan, Jehan Y. Al-Humaidi, Vineet Tirth, Moamen S. Refat, Abid Zaman, Ali Algahtani, Amnah Mohammed Alsuhaibani, Farhad ullah
Format: Article
Language:English
Published: Elsevier 2023-05-01
Series:Journal of Saudi Chemical Society
Subjects:
Density function theory
Energy band structures
Optoelectronics properties
Elastic behavior
Thermoelectric performance
Online Access:http://www.sciencedirect.com/science/article/pii/S1319610323000315

Internet

http://www.sciencedirect.com/science/article/pii/S1319610323000315

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