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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…
Color centers in hexagonal boron nitride (hBN) are presently attracting broad interest as a novel platform for nanoscale sensing and quantum information processing. Unfortunately, their atomic structures remain largely elusive and only a…
Hexagonal boron nitride (hBN) is gaining considerable attention as a solid-state host of quantum emitters from the ultraviolet to the near infrared spectral ranges. However, atomic structures of most of the emitters are speculative or…
Partition Density Functional Theory (P-DFT) is a density embedding method that partitions a molecule into fragments by minimizing the sum of fragment energies subject to a local density constraint and a global electron-number constraint. To…
The stochastic density functional theory (DFT) [Phys. Rev. Lett. 111, 106402 (2013)] is a valuable linear scaling approach to Kohn-Sham DFT that does not rely on the sparsity of the density matrix. Linear (and often sub-linear) scaling is…
We develop a new density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wavefunction which obeys exactly the Gutzwiller approximation for…
Further development of quantum emitter based communication and sensing applications intrinsically depends on the availability of robust single-photon detectors. Here, we demonstrate a new generation of superconducting single-photon…
Quantum defect embedding theory (QDET) is a many-body embedding method designed to describe condensed systems with correlated electrons localized within a given region of space, for example spin defects in semiconductors and insulators.…
Superconducting integrated circuits have demonstrated a tremendous potential to realize integrated quantum computing processors. However, the downside of the solid-state approach is that superconducting qubits suffer strongly from energy…
Solid-state single-photon emitters provide a versatile platform for exploring quantum technologies such as optically connected quantum networks. A key challenge is to ensure optical coherence and spectral stability of the emitters. Here, we…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
We show how to create maximal entanglement between spectrally distinct solid-state emitters embedded in a waveguide interferometer. By revealing the rich underlying structure of multi-photon scattering in emitters, we show that a two-photon…
Two dimensional van der Waals crystals and their heterostructures provide an exciting alternative to bulk wide bandgap semiconductors as hosts of single photon emitters. Amongst different layered materials, bright and robust defect-based…
Artificial atomic systems in solids such as single photon emitters are becoming increasingly important building blocks in quantum information processing and scalable quantum nanophotonic networks. Here, we report on a controllable way to…
Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…
An efficient simulation framework is proposed to model collective emission in disordered ensembles of quantum emitters. Using a cumulant expansion approach, the computational complexity scales polynomially as opposed to exponentially with…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review…
CdTe and its alloy CdTeSe are widely used in optoelectronic devices, such as radiation detectors and solar cells, due to their superior electrical properties. However, the formation of defects and defect complexes in these materials can…
Quantum emitters in two-dimensional layered hexagonal boron nitride are quickly emerging as a highly promising platform for next-generation quantum technologies. However, precise identification and control of defects are key parameters to…
Coherent interactions between quantum emitters in tailored photonic structures is a fundamental building block for future quantum technologies, but remains challenging to observe in complex solid-state environments, where the role of…