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The study of isolated defects in solids is a natural target for classical or quantum embedding methods that treat the defect at a high level of theory and the rest of the solid at a lower level of theory. Here, in the context of…
Virtually noiseless due to the scarcity of spinful nuclei in the lattice, simple oxides hold promise as hosts of solid-state spin qubits. However, no suitable spin defect has yet been found in these systems. Using high-throughput…
We present general design principles for engineering and discovering periodic systems with flat bands. Our paradigm exploits spin-orbit assisted orbital frustration on a lattice to produce band structures that contain multiplets of narrowly…
Silicon vacancies in silicon carbide have been proposed as an alternative to nitrogen vacancy centers in diamonds for spintronics and quantum technologies. An important precondition for these applications is the initialization of the qubits…
Valence excitation spectra are computed for all deep-center silicon-vacancy defect types in 3C, 4H, and 6H silicon carbide (SiC) and comparisons are made with literature photoluminescence measurements. Nuclear geometries surrounding the…
The nitrogen-vacancy center in diamond is a promising candidate for realizing the spin qubits concept in quantum information. Even though this defect is known for a long time, its electronic structure and other properties have not yet been…
Quantum emitters, such as the negatively charged nitrogen-vacancy center in diamond, are attractive for quantum technologies such as nano-sensing, quantum information processing, and as a non-classical light source. However, it is still…
We report optically detected magnetic resonance (ODMR) measurements of an ensemble of spin-1 negatively charged boron vacancies in hexagonal boron nitride. The photoluminescence decay rates are spin-dependent, with inter-system crossing…
In the high density low temperature limit, Quantum Chromodynamics (QCD) exhibits a transition to a phase characterized by color superconductivity and by energy gaps in the fermion spectra. Under specific circumstances the gap parameter has…
In recent years, nitrogen-vacancy (NV) color centers in diamond have become excellent solid-state quantum sensors due to their electronic spin properties. Especially for their easy optical initialization and detection, together with their…
The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…
Light front formalism for composite systems is presented. Derivation of equations for bound state and scattering problems are given. Methods of constructing of elastic form factors and scattering amplitudes of composite particles are…
Coherent population trapping at zero magnetic field was observed for nitrogen-vacancy centers in diamond under optical excitation. This was measured as a reduction in photoluminescence when the detuning between two excitation lasers matched…
Using the spherically symmetric self-consistent Green's function method, we consider thermodynamic properties of the $S=1/2$ $J_1$-$J_2$ Heisenberg model on the 2D square lattice. We calculate the temperature dependence of the spin-spin…
We perform full-potential screened-hybrid density-functional theory (DFT) calculations to compare the thermodynamic stability of neutral and charged states of the surface oxygen vacancy at the rutile TiO$_2$(110) surface. Solid-state…
Spectral properties of fluorescent radiation from a two-level quantum system with broken inversion spatial symmetry, which can be described by a model of an one-electron two-level atom whose electric dipole moment operator has permanent…
Engineering coherent systems is a central goal of quantum science. Color centers in diamond are a promising approach, with the potential to combine the coherence of atoms with the scalability of a solid state platform. However, the solid…
An outstanding challenge for color center-based quantum information processing technologies is the integration of optically-coherent emitters into scalable thin-film photonics. Here, we report on the integration of near-transform-limited…
The first-principles calculations have been performed to investigate the ground state properties of cubic scandium trifluoride (ScF$_3$) perovskite. Using modified hybrid exchange-correlation functionals within the density functional theory…
We consider itinerant spinless fermions as moving defects in a dilute two-dimensional frustrated Ising system where they occupy site vacancies. Fermions interact via local spin fluctuations and we analyze coupled self-consistent mean-field…