Investigation of structural, electronic, and optical properties of zintl phase of Ba3In2As4: A DFT study for optoelectronic application
Seher Akbar, Muhammad Usman, Jalil Ur Rehman, Muhammad Bilal Tahir, Altaf Hussain
Topics & Concepts
ChemistryBand gapAtomic orbitalDensity functional theoryDirect and indirect band gapsHybrid functionalValence (chemistry)Electronic band structureRefractive indexConduction bandDensity of statesPhase (matter)Condensed matter physicsOptoelectronicsMolecular physicsComputational chemistryMaterials scienceElectronPhysicsQuantum mechanicsOrganic chemistryChalcogenide Semiconductor Thin FilmsIron-based superconductors researchHeusler alloys: electronic and magnetic properties