Related papers: The $(e_g \otimes e_u) \otimes E_g$ product Jahn-T…
Artificial atom qubits in diamond have emerged as leading candidates for a range of solid-state quantum systems, from quantum sensors to repeater nodes in memory-enhanced quantum communication. Inversion-symmetric group IV vacancy centers,…
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 focus is on transitions between orbital singlet and…
Point defects in solids may realize solid state quantum bits. The spin-orbit coupling in these point defects plays a key role in the magneto-optical properties that determine the conditions of quantum bit operation. However, experimental…
We present a first-principles study of the multimode Jahn-Teller (JT) effect in the exctied $^{3}E$ state of the negatively charged nitrogen-vacancy (NV) center in diamond. Using density functional theory combined with an intrinsic…
Color centers in diamond have emerged as leading solid-state artificial atoms for a range of quantum technologies, from quantum sensing to quantum networks. Concerted research activities are now underway to identify new color centers that…
We investigate vibrational properties and lattice distortion of negatively charged nitrogen-vacancy (NV) center in diamond. Using the first-principles electronic structure calculations, we show that the presence of NV center leads to…
The neutral silicon--vacancy (SiV$^{0}$) center in diamond combines inversion symmetry with optical emission, making it a robust quantum emitter resilient to stray electric fields. Using first-principles density-functional theory, we…
The optical transition linewidth and emission polarization of single nitrogen-vacancy (NV) centers are measured from 5 K to room temperature. Inter-excited state population relaxation is shown to broaden the zero-phonon line and both the…
We investigate the impact of quantum vibronic coupling on the electronic properties of solid-state spin defects using stochastic methods and first principles molecular dynamics with a quantum thermostat. Focusing on the negatively charged…
Trigonal solid-state defects are often subjects of spontaneous symmetry breaking driven by the $E\otimes e$ Jahn-Teller effect, reflecting strong electron-phonon coupling. These systems, particularly paramagnetic defect qubits in solids are…
In recent years, the negatively charged group-IV--vacancy defects in diamond, labeled as G4V(-) or G4V centers, have attracted significant attention in quantum information processing. In this study, we investigate the magneto-optical…
The electron-phonon interaction in $C_{70}$ anions is studied by making use of a lattice relaxation approach. We find there exists a Jahn-Teller effect in $C_{70}^{3-}$ system, due to an extra electron being doped to the double degenerate…
The negatively-charged silicon-vacancy (SiV$^-$) center in diamond is a promising single photon source for quantum communications and information processing. However, the center's implementation in such quantum technologies is hindered by…
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. In this work, first-principles calculations were employed…
Applications of negatively charged nitrogen-vacancy center in diamond exploit the center's unique optical and spin properties, which at ambient temperature, are predominately governed by electron-phonon interactions. Here, we investigate…
We analyze the spin-orbit and Jahn-Teller interactions in $T_d$ symmetry that are relevant for substitutional transition metal defects in semiconductors. We apply our theory to the substitutional nickel defect in diamond and compute the…
Studying the nature and consequences of electron-phonon interaction in manganites is an area of intense ongoing research. Here, in an attempt to model charge and orbital ordering in manganites displaying C-type antiferromaganetism, we study…
The Jahn-Teller effect used semi-theoretically to analyse UV-visible spectra of the diamond like-carbon films on Si substrates. By deconvolution of UV-visible absorption spectra of the typical films, different absorption lines found. For…
Group-IV -- Vacancy color centers in diamond are fast emerging qubits that can be harnessed in quantum communication and sensor applications. There is an immediate quest for understanding their magneto-optical properties, in order to select…
Recently there has been much interest in using Group IV elements from the Periodic Table to fabricate and study X$V$ color centers in diamond where X = Si, Ge, Sn, or Pb and $V$ is a carbon vacancy. These Group IV color centers have a…