5 papers
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…
Demonstration of the ODMR activity of the telecom range ClV center in SiC: a wavefunction theory analysis
Zsolt Benedek, Oscar Bulancea-Lindvall, Joel Davidsson +2
Recently, density functional theory-based high-throughput screening of point defects in 4H-SiC revealed the positively charged chlorine-vacancy (ClV) defect to be a promising quant…
Native defects and impurities in talcum quasi-2D layers
Gellért Dolecsek, Oscar Bulancea Lindvall, Joel Davidsson +1
Layered semiconductors have recently emerged as capable host materials for novel quantum applications ranging from phonics to sensing. Most studies have focused on artificial layer…
Theoretical characterization of NV-like defects in 4H-SiC using ADAQ with the SCAN and r2SCAN meta-GGA functionals
Ghulam Abbas, Oscar Bulancea-Lindvall, Joel Davidsson +2
Kohn-Sham density functional theory (DFT) is widely used for screening color centers in semiconductors. While the Perdew-Burke-Ernzerhof (PBE) functional is efficient, it often lac…
Temperature dependence of the AB-lines and Optical Properties of the Carbon-Antisite Vacancy Pair in 4H-SiC
Oscar Bulancea-Lindvall, Joel Davidsson, Ivan G. Ivanov +4
Defects in semiconductors have in recent years been revealed to have interesting properties in the venture towards quantum technologies. In this regard, silicon carbide has shown g…