Related papers: First-principles Spin and Optical Properties of Va…
Silicon carbide (SiC)-based defects are promising for quantum communications, quantum information processing, and for the next generation of quantum sensors, as they feature long coherence times, frequencies near the telecom, and optical…
Using a recently developed quantum embedding theory, we present first principles calculations of strongly correlated states of spin defects in diamond. Within this theory, effective Hamiltonians are constructed, which can be solved by…
By applying our methodology, we propose a defect in 4H-SiC which combines a Si vacancy and a C atom substituted with S (VSiSC) to have a spin-triplet ground state with the spin qubit functionality. Our calculations confirm that all…
We present in this work the electronic structure and transition energies (both thermodynamic and optical) of Cl vacancies in NaCl by hybrid density functionals. The underestimated transition energies by the semi-local functional inherited…
Shallow negatively charged silicon-vacancy centers have applications in magnetic quantum sensing and other quantum applications. Vacancy centers near the surface (within 100 nm) have different spin relaxation rates and optical spin…
Colour centres in diamond have emerged as versatile tools for solid-state quantum technologies ranging from quantum information to metrology, where the nitrogen-vacancy centre is the most studied to-date. Recently, this toolbox has expanded…
Spin defects in wide-band gap semiconductors are promising systems for the realization of quantum bits, or qubits, in solid-state environments. To date, defect qubits have only been realized in materials with strong covalent bonds. Here, we…
Two-dimensional (2D) materials have emerged as promising platforms for quantum technologies and optoelectronics, with defects playing a crucial role in their properties. We present a comprehensive density functional theory study of silicon…
Single-layer transition-metal dichalcogenides provide an unique intrinsic entanglement between the spin/valley/orbital degrees of freedom and the polarization of scattered photons. This scenario gives rise to the well-assessed optical…
Color centers in the O-band (1260-1360 nm) are critical for realizing long-coherence quantum network nodes in memory-assisted quantum communications. However, only a limited number of O-band color centers have been explored in silicon hosts…
We present a procedure that makes use of group theory to analyze and predict the main properties of the negatively charged nitrogen-vacancy (NV) center in diamond. We focus on the relatively low temperatures limit where both the spin-spin…
In this paper we study fractional quantum Hall composite fermion wavefunctions at filling fractions \nu = 2/3, 3/5, and 4/7. At each of these filling fractions, there are several possible wavefunctions with different spin polarizations,…
Recently significant attention has been paid to magnetic-field-dependent photoluminescence (PL) features of the negatively charged nitrogen-vacancy (NV) centers in diamond. These features are used for microwave-free sensing and are…
We generate silicon vacancy related defects in high-quality epitaxial silicon carbide layers by means of electron irradiation. By controlling the irradiation fluence, the defect concentration is varied over several orders of magnitude. We…
Accurate first-principles predictions of the structural, electronic, magnetic, and electrochemical properties of cathode materials can be key in the design of novel efficient Li-ion batteries. Spinel-type cathode materials Li$_x$Mn$_2$O$_4$…
Colour centres in silicon carbide emerge as a promising semiconductor quantum technology platform with excellent spin-optical coherences.However, recent efforts towards maximising the photonic efficiency via integration into nanophotonic…
We characterized the formation of vacancies at a surface slab model and contrasted the results with the bulk of lead-halide perovskites using cubic and tetragonal CsPbI$_3$ as representative structures. The defect-free CsI-terminated (100)…
We study the effect of varying the boundary condition on the spectral function of a finite 1D Hubbard chain, which we compute using direct (Lanczos) diagonalization of the Hamiltonian. By direct comparison with the two-body response…
The design and study of hybrid qubits is driven by their ability to get along the best of charge qubits and of spin qubits, {\em i.e.} the speed of operation of the former and the very slow decoherence rates of the latter ones. There are…
Optically active point defects in semiconductors have received great attention in the field of solid-state quantum technologies. Hexagonal boron nitride, with an ultra-wide band gap E_g = 6 eV, containing a negatively charged boron vacancy…