Science Advances · 2020 · 311 citations · 66 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsInorganic ChemistryMaterials PhysicsAb Initio MethodsDefects In Electronic MaterialsElectron-phonon InteractionsElectronic Band StructureNonadiabatic DynamicsPerovskite MaterialsCharge RecombinationDefect ToleranceHalide PerovskitesNative DefectsNonradiative RecombinationNonradiative Recombination CentersPoint DefectsRecombination Centers
is not enhanced, contrary to predictions from SRH theory. We demonstrate that this strong tolerance against defects, and hence the breakdown of SRH, arises because the photogenerated carriers are only coupled with low-frequency phonons and electron and hole states overlap weakly. Both factors appreciably decrease the nonadiabatic coupling. We argue that the soft nature of the inorganic lattice with small bulk modulus is key for defect tolerance, and hence, the findings are general to other MHPs.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17