Litcius/Paper detail

First principle design of new thermoelectrics from TiNiSn based pentanary alloys based on 18 valence electron rule

Mukesh K. Choudhary, P. Ravindran

2022Computational Materials Science15 citationsDOI

Topics & Concepts

Thermoelectric effectCondensed matter physicsAnharmonicityPhononThermoelectric materialsValence electronBoltzmann equationElectronic structureMaterials scienceDebye modelBand gapLattice constantValence (chemistry)IntermetallicElectronic band structureThermodynamicsElectronPhysicsQuantum mechanicsAlloyDiffractionComposite materialAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity