72 citations · 297 across the 16 of their papers we have counts for
12 papers · 1 filter
Identification of carbon-related color centers in hBN by high-resolution ab initio photoluminescence modeling
Vytautas Žalandauskas, Marek Maciaszek, Marianne Etzelmüller Bathen +3
Identification of optically active defects in hexagonal boron nitride (hBN) remains challenging because different defect candidates can produce similar calculated photoluminescence…
Unraveling the electronic structure of silicon vacancy centers in 4H-SiC
Ali Tayefeh Younesi, Minh Tuan Luu, Christopher Linderälv +7
Point defects in silicon carbide (SiC), particularly the negatively-charged silicon vacancy () in 4H-SiC, are leading candidates for scalable quantum technolog…
Impact of strain on electron-phonon coupling of quantum emitters
Vytautas Žalandauskas, Rokas Silkinis, Lukas Razinkovas +6
Defects in semiconductors acting as optically active spin qubits are intriguing objects of fundamental study and future technological developments. These defect-based color centers…
Charge state equilibration of nitrogen-vacancy center ensembles in diamond: The role of electron tunneling
Audrius Alkauskas, Chris G. Van de Walle, Lukas Razinkovas +1
The charge state stability of nitrogen-vacancy (NV) centers critically affects their application as quantum sensors and qubits. Understanding charge state conversion and equilibrat…
Characterization of Chromium Impurities in -GaO
Mark E. Turiansky, Sai Mu, Lukas Razinkovas +8
Chromium is a common transition-metal impurity that is easily incorporated during crystal growth. It is perhaps best known for giving rise to the 694.3 nm (1.786 eV) emission in Cr…
Theory of the divacancy in 4H-SiC: Impact of Jahn-Teller effect on optical properties
Vytautas Žalandauskas, Rokas Silkinis, Lasse Vines +2
Understanding the optical properties of color centers in silicon carbide is essential for their use in quantum technologies, such as single-photon emission and spin-based qubits. I…
Optical lineshapes of the C-center in silicon from ab initio calculations: Interplay of localized modes and bulk phonons
Rokas Silkinis, Marek Maciaszek, Vytautas Žalandauskas +4
In this work, we present a first-principles density functional theory (DFT) computational investigation of the luminescence and absorption lineshapes associated with the neutral ca…
Optical lineshapes for orbital singlet to doublet transitions in a dynamical Jahn-Teller system: the NiV center in diamond
Rokas Silkinis, Vytautas Žalandauskas, Gergő Thiering +4
We apply density functional theory to investigate interactions between electronic and vibrational states in crystal defects with multi-mode dynamical Jahn-Teller (JT) systems. Our…
Blue quantum emitter in hexagonal boron nitride and carbon chain tetramer: proposition of identification
Marek Maciaszek, Lukas Razinkovas
Single photon emitters in hexagonal boron nitride offer a gateway to the future of quantum technologies, yet their identification remains challenging and subject to ongoing debate.…
Thermodynamics of carbon point defects in hexagonal boron nitride
Marek Maciaszek, Lukas Razinkovas, Audrius Alkauskas
We present a first-principles computational study of the thermodynamics of carbon defects in hexagonal boron nitride (hBN). The defects considered are carbon monomers, dimers, trim…
Photoionization of negatively charged NV centers in diamond: theory and ab initio calculations
Lukas Razinkovas, Marek Maciaszek, Friedemann Reinhard +2
We present ab-initio calculations of photoionization thresholds and cross sections of the negatively charged nitrogen-vacancy (NV) center in diamond from the ground and…
Vibrational and vibronic structure of isolated point defects: the nitrogen-vacancy center in diamond
Lukas Razinkovas, Marcus W. Doherty, Neil B. Manson +2
We present a theoretical study of vibrational and vibronic properties of a point defect in the dilute limit by means of first-principles density functional theory calculations. As…