First principles predictions of magneto-optical data for semiconductor point defect identification: The case of divacancy defects in 4H-SiC

  title={First principles predictions of magneto-optical data for semiconductor point defect identification: The case of divacancy defects in 4H-SiC},
  author={J. Davidsson and V. Iv'ady and R. Armiento and N. T. Son and {\'A}. Gali and I. Abrikosov},
  journal={New Journal of Physics},
Study and design of magneto-optically active single point defects in semiconductors are rapidly growing fields due to their potential in quantum bit (qubit) and single photon emitter applications. ... 
First-principles calculations of Stark shifts of electronic transitions for defects in semiconductors: the Si vacancy in 4H-SiC.
A theoretical framework for studying electric field effects on defect-related electronic transitions, based on density functional theory calculations with periodic boundary conditions is described, finding an approximately linear field response for the zero-phonon transitions of V Si involving the decay from the first excited state. Expand
Ab initio theory of the nitrogen-vacancy center in diamond
Abstract The nitrogen-vacancy (NV) center in diamond is a solid-state defect qubit with favorable coherence time up to room temperature, which could be harnessed in several quantum-enhanced sensorExpand
Identification of divacancy and silicon vacancy qubits in 6H-SiC
Point defects in semiconductors are relevant for use in quantum technologies as room temperature qubits and single photon emitters. Among suggested defects for these applications are the negativelyExpand
Stabilization of point-defect spin qubits by quantum wells
It is shown that embedding artificial atoms in stacking faults can actually improve their optical properties, making them function even more like true atoms, paving the way for the development of robust single-photon sources and spin qubits. Expand
First principles calculation of spin-related quantities for point defect qubit research
Point defect research in semiconductors has gained remarkable new momentum due to the identification of special point defects that can implement qubits and single photon emitters with uniqueExpand
Neutral oxygen-vacancy defect in cubic boron nitride: A plausible qubit candidate
Experimental feasibility of potential quantum sensing and computing applications based on the oxygen-vacancy defect (VBON center) in cubic boron nitride (c-BN) is theoretically predicted by means ofExpand
Material platforms for defect qubits and single-photon emitters
Quantum technology has grown out of quantum information theory and now provides a valuable tool that researchers from numerous fields can add to their toolbox of research methods. To date, variousExpand
Density functional theory calculation of the properties of carbon vacancy defects in silicon carbide
Abstract As a promising material for quantum technology, silicon carbide (SiC) has attracted great interest in materials science. Carbon vacancy is a dominant defect in 4H-SiC. Thus, understandingExpand
Longitudinal spin relaxation model applied to point-defect qubit systems
Controllable, partially isolated few level systems in semiconductors have recently gained multidisciplinary attention due to their widespread nanoscale sensing and quantum technology applications.Expand
Spin–spin interactions in defects in solids from mixed all-electron and pseudopotential first-principles calculations
Understanding the quantum dynamics of spin defects and their coherence properties requires an accurate modeling of spin-spin interaction in solids and molecules, for example by using spinExpand


Theory of Neutral Divacancy in SiC: A Defect for Spintronics
We investigate the neutral divacancy in SiC by means of first principles calculations and group theory analysis. We identify the nature of the PL transitions associated with this defect. We show thatExpand
Room-temperature quantum microwave emitters based on spin defects in silicon carbide
Defects in silicon carbide can produce continuous-wave microwaves at room temperature. Spectroscopic analysis indicates a photoinduced inversion of the population in the spin ground states, whichExpand
A room temperature single photon source in silicon carbide
We report the first observation of stable single photon sources in an electronic and photonic device-friendly material, silicon carbide (SiC). SiC is a viable material for implementing quantumExpand
Spin and photophysics of carbon-antisite vacancy defect in 4H silicon carbide: A potential quantum bit
Silicon carbide with engineered point defects is considered as very promising material for the next generation devices, with applications ranging from electronics and photonics to quantum computing.Expand
Theory of spin-conserving excitation of the N-V(-) center in diamond.
By using hybrid density-functional-theory calculations in a large supercell, this work can reproduce the zero-phonon line and the Stokes and anti-Stokes shifts, yielding a complete picture of the spin-conserving excitation of this defect. Expand
Pressure and temperature dependence of the zero-field splitting in the ground state of NV centers in diamond: A first-principles study
Nitrogen-vacancy centers in diamond (NV) attract great attention because they serve as a tool in many important applications. The NV center has a polarizable spin S = 1 ground state and its spin stExpand
Electronic properties and metrology applications of the diamond NV- center under pressure.
The optical and spin resonances of the NV- center are observed under hydrostatic pressures up to 60 GPa and motivate powerful new techniques to measure pressure and image high-pressure magnetic and electric phenomena. Expand
EPR identification of the triplet ground state and photoinduced population inversion for a Si-C divacancy in silicon carbide
It is shown that intrinsic defects responsible for the semi-insulating properties of SiC represent Si-C divacancies in a neutral state (VSi-VC)0, which have the triplet ground state. The energy levelExpand
Room temperature coherent spin alignment of silicon vacancies in 4H- and 6H-SiC.
The data show that the probed silicon vacancy spin ensemble can be prepared in a coherent superposition of the spin states, and make the silicon vacancy in SiC a very favorable defect for spintronics, quantum information processing, and magnetometry. Expand
Indistinguishable photons from separated silicon-vacancy centers in diamond.
We demonstrate that silicon-vacancy (SiV) centers in diamond can be used to efficiently generate coherent optical photons with excellent spectral properties. We show that these features are due toExpand