Predicting structural, optoelectronic and mechanical properties of germanium based AGeF3 (A = Ga and In) halides perovskites using the DFT computational approach
Mudasser Husain, Nasir Rahman, Mongi Amami, Tahir Zaman, Mohammad Sohail, Rajwali Khan, Abid Ali Khan, Saima Ahmad Shah, Saeed Ullah, Aurangzeb Khan, A.H. Reshak, Nora Hamad Al‐Shaalan, Sarah Alharthi, Saif A. Alharthy, Mohammed A. Amin, Vineet Tirth
Topics & Concepts
HalideMaterials scienceBand gapGermaniumDensity functional theoryLattice constantAnisotropySemiconductorCrystal structureDirect and indirect band gapsLattice energyStructural stabilityLattice (music)DiffractionOptoelectronicsCrystallographyComputational chemistryOpticsSiliconChemistryPhysicsEngineeringStructural engineeringInorganic chemistryAcousticsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsPerovskite Materials and Applications