An insight into the electronic, optical and transport properties of promising Zintl-phase BaMg2P2
Junaid Munir, Ahmed S. Jbara, Quratul Ain, Kaneez Fatima, N.A. Noor, Hamza Naeem, Muhammad Jamil, Masood Yousaf
Topics & Concepts
WIEN2kFigure of meritZintl phaseBand gapDensity functional theoryMaterials scienceThermoelectric effectPhase (matter)Electronic band structureCondensed matter physicsLocal-density approximationOptoelectronicsChemistryComputational chemistryThermodynamicsPhysicsCrystal structureCrystallographyQuantum mechanicsAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic properties2D Materials and Applications