Exploring the exemplary electronic and optical nature in NaInX2 (X = S, Se and Te) ternary type chalcogenides materials: A GGA+U and hybrid functionals study
Muhammad Salman Khan, Banat Gul, Gulzar Khan, Shaukat Ali Khattak, M. Ajaz, Tahirzeb Khan, Syed Zulfiqar
Topics & Concepts
Band gapDirect and indirect band gapsTernary operationElectronic band structureSemiconductorElectronic structureHybrid functionalCondensed matter physicsChemistryIonic bondingSemimetalDensity functional theoryMaterials scienceIonPhysicsOptoelectronicsComputational chemistryProgramming languageOrganic chemistryComputer scienceChalcogenide Semiconductor Thin Films2D Materials and ApplicationsInorganic Chemistry and Materials