Chemistry of Materials · 2022 · 38 citations · 56 references
Natural SciencesMaterials EngineeringMaterials ScienceComputational Materials ScienceInorganic ChemistryMaterials ChemistryCrystal EngineeringHigh-throughput Materials ScreeningPerovskite MaterialsSemiconductor Crystal GrowthSolar Cell MaterialsSolar CellsAmorphous OxidesHalide PerovskitesOrganic-inorganic Hybrid PerovskitesOxide PerovskitesPerovskite Crystal StructurePerovskite Solar CellsThermochemical Stability
= 2 K but has strong antiferromagnetic correlations. This work demonstrates the importance and effectiveness of using high-throughput techniques, both computational and experimental: they are integral to optimize the process of realizing two entirely novel nitride perovskites.
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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
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17