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Electronic structure and optical constants of CsPbCl3: The effect of approaches within ab initio calculations in relation to X-ray spectroscopy experiments

Tuan V. Vu, A.A. Lavrentyev, B.V. Gabrelian, Khang D. Pham, O.V. Parasyuk, N.M. Denysyuk, О.Y. Khyzhun

2021Materials Chemistry and Physics33 citationsDOI

Topics & Concepts

X-ray photoelectron spectroscopyDensity functional theoryElectronic structureValence (chemistry)Ab initioAtomic physicsSpectroscopyElectronic band structureChemistryDensity of statesBinding energyPhotoemission spectroscopyMolecular physicsMaterials scienceCondensed matter physicsPhysicsComputational chemistryNuclear magnetic resonanceQuantum mechanicsOrganic chemistryPerovskite Materials and ApplicationsOptical properties and cooling technologies in crystalline materialsLuminescence Properties of Advanced Materials
Electronic structure and optical constants of CsPbCl3: The effect of approaches within ab initio calculations in relation to X-ray spectroscopy experiments | Litcius