Performance of the modified Becke–Johnson potential employing the pseudopotential plane-wave approach for band structure calculations
Hazem Abu‐Farsakh, A. Qteish
Topics & Concepts
PseudopotentialBand gapPlane waveHybrid functionalElectronic band structureLocal-density approximationDirect and indirect band gapsSemiconductorValence electronElectronComputational physicsDensity functional theoryCondensed matter physicsChemistryElectronic structurePhysicsOptoelectronicsQuantum mechanicsHeusler alloys: electronic and magnetic propertiesSuperconductivity in MgB2 and AlloysThermal Expansion and Ionic Conductivity