A continuum dielectric model reproduces explicit DFT substrate effects on charged defect ionization energies in 2D materials to within 0.05 to 0.16 eV, enabling cheap substrate-aware defect screening.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2019 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Substrate effects on charged defects in two-dimensional materials
A continuum dielectric model reproduces explicit DFT substrate effects on charged defect ionization energies in 2D materials to within 0.05 to 0.16 eV, enabling cheap substrate-aware defect screening.