First-principles study of the structural, mechanical, electronic, optical, and elastic properties of non-toxic XGeBr3 (X=K, Rb, and Cs) perovskite for optoelectronic and radiation sensing applications
Md. Helal Miah, Noor–E- Ashrafi, Md. Bulu Rahman, Mohammad Nur‐E‐Alam, Mohammad Aminul Islam, K.A. Naseer, Mohamed Y. Hanfi, Hamid Osman, Mayeen Uddin Khandaker
Topics & Concepts
CASTEPDensity functional theoryBand gapAnisotropyMaterials scienceOscillator strengthElectronic structureElectronic band structureBulk modulusRefractive indexDirect and indirect band gapsPerovskite (structure)Photon energyOptical conductivityCondensed matter physicsOptoelectronicsChemistryOpticsComputational chemistryPhotonPhysicsComposite materialCrystallographyAstronomySpectral linePerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyThermal Expansion and Ionic Conductivity