The Vibrational and Thermodynamic Properties of CsPbI<sub>3</sub> Polymorphs: An Improved Description Based on the SCAN meta-GGA Functional
J. Kaczkowski, Iwona Płowaś
Abstract
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Topics & Concepts
Tetragonal crystal systemFerroelectricityHelmholtz free energyDensity functional theoryPhase transitionLocal-density approximationPhononMaterials scienceCondensed matter physicsPhase (matter)Hybrid functionalThermodynamicsChemistryPhysicsComputational chemistryQuantum mechanicsDielectricOptoelectronicsPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyCrystal Structures and Properties