2 papers
cond-mat.mtrl-sci2025
Dielectric-Dependent Range-Separated Hybrid Functional Calculations for Metal Oxides
Jiawei Zhan, Marco Govoni, Giulia Galli
Recently, we introduced the screened-exchange range-separated hybrid (SE-RSH) functional to account for spatially dependent dielectric screening in complex materials. The SE-RSH fu…
cond-mat.str-el2025
Strongly correlated states of transition metal spin defects: the case of an iron impurity in aluminum nitride
Leon Otis, Yu Jin, Victor Wen-zhe Yu +3
We investigate the electronic properties of an exemplar transition metal impurity in an insulator, with the goal of accurately describing strongly correlated, defect states. We con…