304 citations · 396 across the 4 of their papers we have counts for
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Identification of the Nitrogen Interstitial as Origin of the 3.1 eV Photoluminescence Band in Hexagonal Boron Nitride
E. Khorasani, T. Frauenheim, B. Aradi +1
Nitrogen interstitials (N) have the lowest formation energy among intrinsic defects of hexagonal boron nitride (hBN) under n-type and N-rich conditions. Using an optim…
Self-consistent potential correction for charged periodic systems
Mauricio Chagas da Silva, Michael Lorke, Bálint Aradi +5
Supercell models are often used to calculate the electronic structure of local perturbations from the ideal periodicity in the bulk or on the surface of a crystal or in wires. When…
Calculation ofthe transitions and migration of nitrogen and vacancy related defects,with implications on the formation of NV centers in bulk diamond
Peter Deák, Bálint Aradi, Moloud Kaviani +2
Formation and excitation energies as well charge transition levels, are determined forthe substitutional nitrogen (Ns),the vacancy (V) and related point defects (NV, NVH, N2, N2V a…
Theory of Spin-Conserving Excitation of the Center in Diamond
Adam Gali, Erik Janzén, Péter Deák +2
The negatively charged nitrogen-vacancy defect ( center) in diamond is an important atomic-scale structure that can be used as a qubit in quantum computing and as a marker i…