Computational Prediction of Structural, Electronic, Elastic, and Thermoelectric Properties of FeVX (X = As, P) Half-Heusler Compounds
N. Chami, O. Arbouche, Siwar Chibani, Fatima Zohra Driss Khodja, Kadda Amara, M. Ameri, Y. Al‐Douri, Mehdi Adjdir
Topics & Concepts
Semiclassical physicsDensity functional theoryThermoelectric effectSolid-state physicsFigure of meritBoltzmann constantCondensed matter physicsMaterials scienceElectronic structureTransport theoryComputational chemistrySemiconductorThermoelectric materialsChemistryThermodynamicsPhysicsStatistical physicsQuantum mechanicsOptoelectronicsQuantumHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsAdvanced Thermoelectric Materials and Devices