J. Varley

collaborators

2 papers

cond-mat.mtrl-sci2025

Equivalence of charged and neutral density functional formulations for correcting the many-body self-interaction of polarons

Stefano Falletta, Jennifer Coulter, Joel B. Varley +4

The electron self-interaction problem in density functional theory affects the accurate modeling of polarons, particularly their localization and formation energy. Charged and neut…

cond-mat.mtrl-sci2025

Diffusion of acceptor dopants in monoclinic $I^^{2}$ -Ga $_{2}$ O $_{3}$

Channyung Lee, Michael A. Scarpulla, Elif Ertekin +1

$I^^{2}$ -Ga $_{2}$ O $_{3}$ is a leading ultra-wide band gap semiconductor, but its performance depends on precise control over dopant incorporation and stability. In this work, we use first-…

Equivalence of charged and neutral density functional formulations for correcting the many-body self-interaction of polarons

Diffusion of acceptor dopants in monoclinic I^2-Ga2​O3​

Diffusion of acceptor dopants in monoclinic $I^^{2}$ -Ga $_{2}$ O $_{3}$