2 papers
cond-mat.mtrl-sci2026
Density functional study of native point defects in CaO
Yunhwa Jo, Minseok Choi
We investigate the structural, electronic, and optical properties of native point defects in CaO using first-principles density-functional calculations. Oxygen vacancies are favore…
cond-mat.mtrl-sci2026
Native defects and erbium impurities in CaWO4
Minseok Choi, Mark E. Turiansky, BaiQing Zhao +2
We perform hybrid density functional calculation to study the energetics, electronic properties, optical transitions, and migration barriers of native defects in CaWO. Oxygen a…