Journal of Materials Chemistry C · 2024 · 12 citations · 48 references
Natural SciencesMaterials EngineeringMaterials ScienceElectronic MaterialsOptical MaterialsOptoelectronicsLuminescent MaterialsPhotochromic MaterialsQuantum OptoelectronicsFirst-principles ModelingFirst-principles ThermodynamicsInorganic PhosphorsPhosphor MaterialsPhosphorescent MaterialsPhosphorsPhysical Properties
Based on first principles calculations and experiments, a mechanism was proposed to enhance the anisotropy of physical properties, reduce the bandgap, and make the traps caused by stress/defects shallower on the basis of theoretical calculations.
48
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
First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
Natural Sciences, Chemistry, Physics +17