183 citations · 344 across the 8 of their papers we have counts for
8 papers
Combining experiments on luminescent centres in hexagonal boron nitride with the polaron model and ab initio methods towards the identification of their microscopic origin
Moritz Fischer, Ali Sajid, Jake Iles-Smith +10
The two-dimensional material hexagonal boron nitride (hBN) hosts luminescent centres with emission energies of 2 eV which exhibit pronounced phonon sidebands. We investigate the mi…
Spin coherence times of point defects in two-dimensional materials from first principles
A. Sajid, Kristian S. Thygesen
The spin coherence times of 69 triplet defect centers in 45 different 2D host materials are calculated using the cluster correlation expansion (CCE) method with parameters of the s…
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…
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…
VNCB defect as source of single photon emission from hexagonal boron nitride
A. Sajid, and Kristian S. Thygesen
Single photon emitters in 2D hexagonal boron nitride (hBN) have attracted a considerable attention because of their highly intense, stable, and strain-tunable emission. However, th…
Identification of defects responsible for optically detected magnetic resonance in hexagonal boron nitride
A Sajid, Kristian S Thygesen, Jeffrey R Reimers +1
Crystal defects in the two-dimensional insulator hexagonal boron nitride (hBN) can host localised electronic states that are candidates for applications in quantum technology, yet…
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…
Defect states in hexagonal boron nitride: Assignments of observed properties and prediction of properties relevant to quantum computation
A. Sajid, Jeffrey R. Reimers, Michael J. Ford
Key properties of nine possible defect sites in hexagonal boron nitride (h-BN) are predicted using density-functional theory and are corrected by applying results from high-level a…