Prediction of dielectric constants of ABO<sub>3</sub>-type perovskites using machine learning and first-principles calculations
Eunsong Kim, Joonchul Kim, Kyoungmin Min
Abstract
We constructed the machine-learning model for predicting the dielectric constant of ABO 3 perovskite with additionally calculated and analyzed 216 thermodynamically stable ABO 3 -type perovskites.
Topics & Concepts
DielectricIonic bondingPerturbation theory (quantum mechanics)Materials scienceMean squared errorDensity functional theoryThermodynamicsChemistryComputational chemistryIonMathematicsPhysicsStatisticsQuantum mechanicsOptoelectronicsOrganic chemistryMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyElectronic and Structural Properties of Oxides