Litcius/Paper detail

Topological analysis of electron density in half-Heusler ZrXBi (X = Co, Rh) compounds: A density functional theory study accompanied by Bader’s quantum theory of atoms in molecules

M. Yazdani-Kachoei, S. Jalali-Asadabadi

2020Journal of Alloys and Compounds16 citationsDOI

Topics & Concepts

Seebeck coefficientDensity functional theoryThermoelectric effectAtoms in moleculesCondensed matter physicsFermi levelElectronic structureThermoelectric materialsElectronic band structureBand gapChemistryTopology (electrical circuits)Materials scienceElectronMoleculeComputational chemistryPhysicsQuantum mechanicsMathematicsCombinatoricsOrganic chemistryAdvanced Thermoelectric Materials and DevicesTopological Materials and PhenomenaHeusler alloys: electronic and magnetic properties
Topological analysis of electron density in half-Heusler ZrXBi (X = Co, Rh) compounds: A density functional theory study accompanied by Bader’s quantum theory of atoms in molecules | Litcius