4 papers · 1 filter
An extended ab initio theory of the V center in hBN: excited states, Jahn-Teller distortion, and pressure dependence
Zsolt Benedek, Ãdám Ganyecz, Oscar Bulancea-Lindvall +2
Ensembles of negatively charged boron vacancy (V) centers in hexagonal boron nitride (hBN) have emerged as a two-dimensional spin qubit system interfaced with optics…
Identifying high-energy electronic states of NV centers in diamond
Minh Tuan Luu, Christopher Linderälv, Zsolt Benedek +4
The negatively charged nitrogen-vacancy center in diamond is a prototype photoluminescent point defect spin qubit with promising quantum technology applications, enabled by its eff…
Accurate and convergent energetics of color centers by wavefunction theory
Zsolt Benedek, Ãdám Ganyecz, Anton Pershin +2
Ab initio description of point defects in semiconductors, characterized by in-gap states of significant multideterminant character, presents a longstanding theoretical challenge fo…
Carbon-contaminated topological defects in hexagonal boron nitride for quantum photonics
Rohit Babar, Ãdám Ganyecz, Igor A. Abrikosov +2
Topological defects, such as Stone-Wales defects and grain boundaries, are common in 2D materials. In this study, we investigate the intricate interplay of topological defects and…