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The electronic spin precession in semiconductor dots is strongly affected by the spin-orbit coupling. We present a theory of the electronic spin resonance at low magnetic fields that predicts a strong dependence on the dot occupation, the…
Defects in silicon carbide (SiC) have emerged as a favorable platform for optically-active spin-based quantum technologies. Spin qubits exist in specific charge states of these defects, where the ability to control these states can provide…
We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In…
In magnetic pyrochlore materials, the interplay of spin-orbit coupling, electronic correlations, and geometrical frustration gives rise to exotic quantum phases, including topological semimetals and spin ice. While these phases have been…
Coherent superposition states of a mesoscopic quantum object play a major role in our understanding of the quantum to classical boundary, as well as in quantum-enhanced metrology and computing. However, their practical realization and…
Band calculations on HgBa$_2$CuO$_4$ and La$_{(2-x)}$Sr$_x$CuO$_4$ with phonon and spin-waves within the CuO planes show that partial gaps are created at various energies depending on wavelengths. Spin and phonon gaps appear at different…
An attractive feature of magnetic adatoms and molecules for nanoscale applications is their superparamagnetism, the preferred alignment of their spin along an easy axis preventing undesired spin reversal. The underlying magnetic anisotropy…
We investigate the details of the electronic structure in the neighborhoods of a carbon atom vacancy in graphene by employing magnetization-constrained density-functional theory on periodic slabs, and spin-exact, multi-reference,…
While bulk silicon has long been understood to exhibit relatively weak spin-orbit coupling (SOC), confinement of electrons to quantum dots (QDs) at a silicon heterointerface results in significantly larger SOC. This is a concern for…
The spectrum of hybrid electromagnetic-spin-acoustic waves for magnetic having conical spiral ferromagnetic structure defined by heterogeneous exchange and relativistic interactions have been received. The possibility of resonant…
The electronic state around a single vacancy in silicon crystal is investigated by using the Green's function approach. The triply degenerate charge states are found to be widely extended and account for extremely large elastic softening at…
The breaking of symmetry is the ground on which many physical phenomena are explained. This is important in particular for bipartite lattice structure as graphene and carbon nanotubes, where particle-hole and pseudo-spin are relevant…
Electronic defects in semiconductors form the basis for many emerging quantum technologies. Understanding defect spin and charge dynamics in solid state platforms is crucial to developing these building blocks, but many defect centers are…
The performance of solid-state quantum sensors based on electronic spin defects is often limited by the presence of environmental spin impurities that cause decoherence. A promising approach to improve these quantum sensors is to convert…
Optically active spin defects in solids are promising platforms for quantum technologies. Here, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical…
Quantum sensing with solid-state spin defects has transformed nanoscale metrology, offering sub-wavelength spatial resolution with exceptional sensitivity to multiple signal types. Maximizing these advantages requires minimizing both the…
In search of two level quantum systems that implement a qubit, the nitrogen-vacancy (NV) center in diamond has been intensively studied for years. Despite favorable properties such as remarkable defect spin coherence times, the…
We study the magnetic properties of the adatom systems on a semiconductor surface Si(111):\{C,Si,Sn,Pb\} - ($\sqrt{3} \times \sqrt{3}$). On the basis of all-electron density functional theory calculations we construct effective low-energy…
Optically addressable spin defects in hexagonal boron nitride hold promise for room-temperature quantum technologies, but their microscopic identities remain largely unknown. Using first principles calculations, we show that coupled spin…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…