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First-principles investigation of structural, electronic, optical, elastic, and thermal properties of double perovskites Cs <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si52.svg" display="inline" id="d1e2109"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> AgMX <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si53.svg" display="inline" id="d1e2117"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>6</mml:mn> </mml:mrow> </mml:msub> </mml:math> (M = Al, In, Ga; X = Br, Cl) for thermoelectric and water splitting applications

M. Usman Saeed, Aamir Khan, Shamiala Pervaiz, Shahan Ali, Sohail Mumtaz, Hazrat Ali, Hosam O. Elansary, Eman A. Mahmoud, Ihab Mohamed Moussa, Y. Saeed

2025Journal of Physics and Chemistry of Solids7 citationsDOI

Topics & Concepts

ThermalMaterials sciencePhysicsCondensed matter physicsThermodynamicsPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic properties
First-principles investigation of structural, electronic, optical, elastic, and thermal properties of double perovskites Cs <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si52.svg" display="inline" id="d1e2109"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> AgMX <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si53.svg" display="inline" id="d1e2117"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>6</mml:mn> </mml:mrow> </mml:msub> </mml:math> (M = Al, In, Ga; X = Br, Cl) for thermoelectric and water splitting applications | Litcius