3 papers
cond-mat.mtrl-sci2020
Possible nanophotonics applications of the defect in hexagonal boron nitride
A. Sajid, Jeffrey R. Reimers, Rika Kobayashi +1
The defect in hexagonal boron nitride (h-BN), comprising a nitrogen vacancy adjacent to a nitrogen-for-boron substitution, is modelled in regard to its possible usefulnes…
cond-mat.mtrl-sci2020
Convergence of defect energetics calculations
Jeffrey R. Reimers, A. Sajid, Rika Kobayashi +1
Determination of the chemical and spectroscopic natures of defects in materials such as hexagonal boron nitride (h-BN) remains a serious challenge for both experiment and theory. T…
physics.comp-ph2018
Understanding and calibrating Density-Functional-Theory calculations describing the energy and spectroscopy of defect sites in hexagonal boron nitride
Jeffrey R. Reimers, Ali Sajid, Rika Kobayashi +1
Defect states in 2D materials present many possible uses but both experimental and computational characterization of their spectroscopic properties is difficult. We provide and com…