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First-principles calculations to investigate Electronic, half-metallicity, thermodynamics, thermoelectric and mechanical properties of new Half-Heusler alloys FeCoZ (Z = Si, Ge, and Pb)

Maryam Touqir, G. Murtaza, Ahmad Ayyaz, Ahmad Usman, M. Basit Shakir, Saba Saleem, Hummaira Khan, Muhammad Umair Ashraf, Khalid M. Elhindi

2025Computational and Theoretical Chemistry13 citationsDOI

Topics & Concepts

ChemistryThermodynamicsThermoelectric effectCondensed matter physicsPhysicsHeusler alloys: electronic and magnetic propertiesIntermetallics and Advanced Alloy PropertiesMXene and MAX Phase Materials
First-principles calculations to investigate Electronic, half-metallicity, thermodynamics, thermoelectric and mechanical properties of new Half-Heusler alloys FeCoZ (Z = Si, Ge, and Pb) | Litcius