Exploring Rare-Earth compound ErMn2Si2 for thermoelectric and photoelectrochemical applications using Density functional theory
Junaid Khan, Younas Iqbal, Fida Rehman, Junaid Alam, Muhammad Rahim, Sajjad Hussain, Muhammad Nawaz Sharif, Matiullah Khan
Topics & Concepts
Materials scienceThermoelectric effectFerromagnetismCondensed matter physicsTernary operationDensity functional theorySeebeck coefficientBand gapElectronic band structureFigure of meritMagnetic momentHeusler compoundThermodynamicsPhysicsOptoelectronicsComputational chemistryChemistryProgramming languageComputer scienceHeusler alloys: electronic and magnetic propertiesRare-earth and actinide compoundsAdvanced Thermoelectric Materials and Devices