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Photoluminescence spectra of point defects in semiconductors: Validation of first-principles calculations

https://doi.org/10.1103/physrevmaterials.5.084603
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Time‐dependent density functional study on the excitation spectrum of point defects in semiconductors
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Semiconductors; group IV elements and III-V compounds
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Optimization algorithm for the generation of ONCV pseudopotentials
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The nitrogen-vacancy colour centre in diamond
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First principles phonon calculations in materials science
inferredcites →https://doi.org/10.1021/acs.jctc.0c01258openalex-snapshot
Quantum Embedding Theory for Strongly Correlated States in Materials
inferredcites →https://doi.org/10.1021/acs.jpca.0c07339openalex-snapshot
First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride
inferredcites →https://doi.org/10.1021/ct500958popenalex-snapshot
Large Scale GW Calculations
inferredcites →https://doi.org/10.1038/s41467-017-01993-4openalex-snapshot
Optical charge state control of spin defects in 4H-SiC
inferredcites →https://doi.org/10.1038/s41524-020-00353-zopenalex-snapshot
Quantum simulations of materials on near-term quantum computers
inferredcites →https://doi.org/10.1038/s41524-020-00451-yopenalex-snapshot
Stone–Wales defects in hexagonal boron nitride as ultraviolet emitters
inferredcites →https://doi.org/10.1038/s41566-018-0232-2openalex-snapshot
Quantum technologies with optically interfaced solid-state spins
inferredcites →https://doi.org/10.1038/s41578-021-00306-yopenalex-snapshot
Quantum guidelines for solid-state spin defects
inferredcites →https://doi.org/10.1039/c7nr04270aopenalex-snapshot
First-principles investigation of quantum emission from hBN defects
inferredcites →https://doi.org/10.1039/c9tc01954eopenalex-snapshot
Luminescence landscapes of nitrogen-vacancy centers in diamond: quasi-localized vibrational resonances and selective coupling
inferredcites →https://doi.org/10.1039/d0cp04585copenalex-snapshot
First-principles studies of strongly correlated states in defect spin qubits in diamond
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Machine learning dielectric screening for the simulation of excited state properties of molecules and materials
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Hybrid functionals based on a screened Coulomb potential
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The Franck-Condon Principle and Its Application to Crystals
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Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
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Tutorial: Defects in semiconductors—Combining experiment and theory
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Carbon dimer defect as a source of the 4.1 eV luminescence in hexagonal boron nitride
inferredcites →https://doi.org/10.1063/5.0004454openalex-snapshot
Developing silicon carbide for quantum spintronics
inferredcites →https://doi.org/10.1063/5.0005082openalex-snapshot
Q uantum ESPRESSO toward the exascale
inferredcites →https://doi.org/10.1063/5.0006075openalex-snapshot
Material platforms for defect qubits and single-photon emitters
inferredcites →https://doi.org/10.1063/5.0008242openalex-snapshot
Observation of near-infrared sub-Poissonian photon emission in hexagonal boron nitride at room temperature
inferredcites →https://doi.org/10.1063/5.0033417openalex-snapshot
An ab initio effective solid-state photoluminescence by frequency constraint of cluster calculation
inferredcites →https://doi.org/10.1063/5.0041608openalex-snapshot
Measurement and analysis of photoluminescence in GaN
inferredcites →https://doi.org/10.1063/5.0068470openalex-snapshot
Bright ab initio photoluminescence of NV+ in diamond
inferredcites →https://doi.org/10.1088/0034-4885/42/10/001openalex-snapshot
Optical absorption and luminescence in diamond
inferredcites →https://doi.org/10.1088/0953-8984/21/39/395502openalex-snapshot
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
inferredcites →https://doi.org/10.1088/1361-648x/aa8f79openalex-snapshot
Advanced capabilities for materials modelling with Q uantum ESPRESSO
inferredcites →https://doi.org/10.1088/1361-648x/aba295openalex-snapshot
Luminescence line shapes of band to deep centre and donor–acceptor transitions in AlN
inferredcites →https://doi.org/10.1088/1367-2630/16/7/073026openalex-snapshot
First-principles theory of the luminescence lineshape for the triplet transition in diamond NV centres
inferredcites →https://doi.org/10.1088/1367-2630/aaa752openalex-snapshot
First principles predictions of magneto-optical data for semiconductor point defect identification: the case of divacancy defects in 4H–SiC
inferredcites →https://doi.org/10.1098/rspa.1950.0184openalex-snapshot
Theory of light absorption and non-radiative transitions in F -centres
inferredcites →https://doi.org/10.1103/physrevapplied.12.014042openalex-snapshot
All-Optical Cryogenic Thermometry Based on Nitrogen-Vacancy Centers in Nanodiamonds
inferredcites →https://doi.org/10.1103/physrevapplied.13.054017openalex-snapshot
Vibronic States and Their Effect on the Temperature and Strain Dependence of Silicon-Vacancy Qubits in 4 H - Si C
inferredcites →https://doi.org/10.1103/physrevapplied.15.034059openalex-snapshot
Microwave-Assisted Spectroscopy of Vacancy-Related Spin Centers in Hexagonal SiC
inferredcites →https://doi.org/10.1103/physrevb.101.144109openalex-snapshot
Local vibrational modes of Si vacancy spin qubits in SiC
inferredcites →https://doi.org/10.1103/physrevb.102.115102openalex-snapshot
Electronic structure and magneto-optical properties of silicon-nitrogen-vacancy complexes in diamond
inferredcites →https://doi.org/10.1103/physrevb.102.134103openalex-snapshot
Theoretical study of quantum emitters in two-dimensional silicon carbide monolayers
inferredcites →https://doi.org/10.1103/physrevb.102.195206openalex-snapshot
Group-III quantum defects in diamond are stable spin-1 color centers
inferredcites →https://doi.org/10.1103/physrevb.103.115421openalex-snapshot
Vibrational signatures for the identification of single-photon emitters in hexagonal boron nitride
inferredcites →https://doi.org/10.1103/physrevb.103.125203openalex-snapshot
Photoluminescence line shapes for color centers in silicon carbide from density functional theory calculations
inferredcites →https://doi.org/10.1103/physrevb.104.045303openalex-snapshot
Vibrational and vibronic structure of isolated point defects: The nitrogen-vacancy center in diamond
inferredcites →https://doi.org/10.1103/physrevb.88.085117openalex-snapshot
Optimized norm-conserving Vanderbilt pseudopotentials
inferredcites →https://doi.org/10.1103/physrevb.88.165202openalex-snapshot
Infrared absorption band and vibronic structure of the nitrogen-vacancy center in diamond
inferredcites →https://doi.org/10.1103/physrevb.89.195112openalex-snapshot
Self-consistent hybrid functional for condensed systems
inferredcites →https://doi.org/10.1103/physrevb.92.045208openalex-snapshot
Defects as qubits in 3C− and 4H−SiC
inferredcites →https://doi.org/10.1103/physrevb.92.165203openalex-snapshot
Complexes of silicon, vacancy, and hydrogen in diamond: A density functional study
inferredcites →https://doi.org/10.1103/physrevb.94.134305openalex-snapshot
Microscopic modeling of the effect of phonons on the optical properties of solid-state emitters
inferredcites →https://doi.org/10.1103/physrevb.94.165402openalex-snapshot
Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies
inferredcites →https://doi.org/10.1103/physrevb.96.081115openalex-snapshot
Ab initio calculation of spin-orbit coupling for an NV center in diamond exhibiting dynamic Jahn-Teller effect
inferredcites →https://doi.org/10.1103/physrevb.97.165204openalex-snapshot
Multimode Jahn-Teller effect in bulk systems: A case of the NV0 center in diamond
inferredcites →https://doi.org/10.1103/physrevb.98.035306openalex-snapshot
Vibrational modes of negatively charged silicon-vacancy centers in diamond from ab initio calculations
inferredcites →https://doi.org/10.1103/physrevb.98.205405openalex-snapshot
Electronic structures and spectroscopic signatures of silicon-vacancy containing nanodiamonds
inferredcites →https://doi.org/10.1103/physrevlett.103.186404openalex-snapshot
Theory of Spin-Conserving Excitation of the N − V − Center in Diamond
inferredcites →https://doi.org/10.1103/physrevlett.103.256404openalex-snapshot
Observation of the Dynamic Jahn-Teller Effect in the Excited States of Nitrogen-Vacancy Centers in Diamond
inferredcites →https://doi.org/10.1103/physrevlett.107.146403openalex-snapshot
Dynamic Jahn-Teller Effect in the NV− Center in Diamond
inferredcites →https://doi.org/10.1103/physrevlett.109.267401openalex-snapshot
First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO
inferredcites →https://doi.org/10.1103/physrevlett.122.237402openalex-snapshot
Finite-Field Approach to Solving the Bethe-Salpeter Equation
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevmaterials.1.075002openalex-snapshot
Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies
inferredcites →https://doi.org/10.1103/physrevresearch.2.013091openalex-snapshot
Low-cost alternatives to the Bethe-Salpeter equation: Towards simple hybrid functionals for excitonic effects in solids
inferredcites →https://doi.org/10.1103/physrevx.7.021046openalex-snapshot
Isolated Spin Qubits in SiC with a High-Fidelity Infrared Spin-to-Photon Interface
inferredcites →https://doi.org/10.1103/physrevx.8.021063openalex-snapshot
Ab Initio Magneto-Optical Spectrum of Group-IV Vacancy Color Centers in Diamond
inferredcites →https://doi.org/10.1103/revmodphys.86.253openalex-snapshot
First-principles calculations for point defects in solids
inferredcites →https://doi.org/10.1109/jproc.2016.2561274openalex-snapshot
Control of Spin Defects in Wide-Bandgap Semiconductors for Quantum Technologies
inferredcites →https://doi.org/10.1119/1.1933590openalex-snapshot
Introduction to Solid State Physics
inferredcites →https://doi.org/10.1143/ptp.13.160openalex-snapshot
Application of the Method of Generating Function to Radiative and Non-Radiative Transitions of a Trapped Electron in a Crystal
inferredcites →https://doi.org/10.1146/annurev-matsci-070317-124453openalex-snapshot
First-Principles Calculations of Point Defects for Quantum Technologies
inferredcites →https://doi.org/10.1146/annurev-physchem-040513-103659openalex-snapshot
Nitrogen-Vacancy Centers in Diamond: Nanoscale Sensors for Physics and Biology
inferredcites →https://doi.org/10.1515/nanoph-2019-0154openalex-snapshot
Ab initio theory of the nitrogen‐vacancy center in diamond
inferredcites →https://doi.org/10.48550/arxiv.2007.14399openalex-snapshot
Dynamic modulation of phonon-assisted transitions in quantum defects in monolayer transition-metal dichalcogenide semiconductors
inferredcites →https://doi.org/10.6082/8jzt2-0nd37openalex-snapshot
Isolated spin qubits in SiC with a high-fidelity infrared spin-to-photon interface

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inferred← citeshttps://doi.org/10.7498/aps.76.20261150openalex-snapshot
Constrained spin-polarization calculations of d-d emission energies of transition-metal ions in the wide-gap double perovskite Cs2NaScCl6
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