Strain-induced bandgap engineering in CsGeX<sub>3</sub> (X = I, Br or Cl) perovskites: insights from first-principles calculations
Guangbiao Xiang, Yanwen Wu, Man Zhang, Jiancai Leng, Cheng Chen, Hong Ma
Abstract
The electronic structures, DOSs, carrier transport properties, and optical properties of CsGeX 3 (X = I, Br or Cl) perovskites under triaxial strains of −4% to 4% were investigated based on density functional theory.
Topics & Concepts
Perovskite (structure)Band gapElectronDensity functional theoryMaterials scienceStrain (injury)Condensed matter physicsStrain engineeringBlueshiftRedshiftElectronic band structureOptoelectronicsChemistryCrystallographyPhysicsComputational chemistryPhotoluminescenceGalaxyQuantum mechanicsSiliconInternal medicineMedicinePerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography