Insight into the structural, optoelectronic, and thermoelectric properties of Fe<sub>2</sub>HfSi Heusler by DFT investigation
Abida Azam, Ramesh Sharma, Debidatta Behera, Hafiz Hamid Raza, H. Saad Ali, Shaimaa A. M. Abdelmohsen, Ashraf M. M. Abdelbacki, Sanat Kumar Mukherjee
Abstract
At high pressure, the pressure dependencies of the structural, electronic, optical, and thermoelectric properties of Fe 2 HfSi Heusler were calculated using the FP-LAPW method within the framework of the density functional theory.
Topics & Concepts
Seebeck coefficientThermoelectric effectMaterials scienceDensity functional theoryFigure of meritThermal conductivityMolar absorptivityCondensed matter physicsThermoelectric materialsAttenuation coefficientThermodynamicsOptoelectronicsChemistryOpticsComposite materialComputational chemistryPhysicsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsChalcogenide Semiconductor Thin Films