Hybrid DFT shows self-trapped holes in kappa-Ga2O3 are stabilized by acceptor dopants, creating O 2p-derived states 0.2-1.2 eV above VBM and improving optical agreement with experiment.
Title resolution pending
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
fields
cond-mat.mtrl-sci 2representative citing papers
DFT+U calculations on the refined low-T magnetite structure examine trimeron ordering effects on bandgap and polaron hopping to clarify their interplay in electronic properties.
citing papers explorer
-
Self-trapped holes and acceptor impurities in orthorhombic Ga2O3
Hybrid DFT shows self-trapped holes in kappa-Ga2O3 are stabilized by acceptor dopants, creating O 2p-derived states 0.2-1.2 eV above VBM and improving optical agreement with experiment.
-
Trimeron ordering, bandgap and polaron hopping in magnetite
DFT+U calculations on the refined low-T magnetite structure examine trimeron ordering effects on bandgap and polaron hopping to clarify their interplay in electronic properties.