Structural, dynamical, and thermoelectric properties of the novel half-Heusler compound MgYGa from first-principles calculations

2026/06/29 by Khedija Talbi, Friha Khelfaoui, Youcef Cherchab +5
Materials Science · #Heusler alloys: electronic and magnetic properties #Advanced Thermoelectric Materials and Devices #Thermal Expansion and Ionic Conductivity

paper · doi:10.1016/j.jpcs.2026.113959

Citations

• BoltzTraP. A code for calculating band-structure dependent quantities
• A simple measure of electron localization in atomic and molecular systems