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First-principles study of quantum defect candidates in beryllium oxide

https://doi.org/10.1103/physrevb.106.174113

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What this work says

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

inferredcites →https://doi.org/10.1002/pssa.2210420224openalex-snapshot

An EPR-ENDOR study of the [Li]° center in crystalline and ceramic BeO

inferredcites →https://doi.org/10.1002/pssb.201046289openalex-snapshot

Electrostatic interactions between charged defects in supercells

inferredcites →https://doi.org/10.1002/pssb.2221410129openalex-snapshot

Optical Properties of the F‐Centre in Beryllium Oxide

inferredcites →https://doi.org/10.1007/s11148-019-00284-3openalex-snapshot

Production and Thermophysical Properties of BeO Ceramics with the Addition of Nanocrystalline Titanium Dioxide

inferredcites →https://doi.org/10.1016/0022-3697(69)90348-5openalex-snapshot

Electronic spectrum of crystalline beryllium oxide

inferredcites →https://doi.org/10.1016/0927-0256(96)00008-0openalex-snapshot

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

inferredcites →https://doi.org/10.1016/j.cpc.2021.108056openalex-snapshot

Nonrad: Computing nonradiative capture coefficients from first principles

inferredcites →https://doi.org/10.1016/j.jnucmat.2019.07.016openalex-snapshot

Diffusivity of hydrogen and properties of point defects in beryllium investigated by DFT

inferredcites →https://doi.org/10.1016/j.phpro.2012.03.675openalex-snapshot

First principles study of native defects in BeO

inferredcites →https://doi.org/10.1016/s0168-9002(02)00728-3openalex-snapshot

Metastable defects in beryllium oxide crystals

inferredcites →https://doi.org/10.1038/s41524-020-00434-zopenalex-snapshot

Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap

inferredcites →https://doi.org/10.1063/1.1564060openalex-snapshot

Hybrid functionals based on a screened Coulomb potential

inferredcites →https://doi.org/10.1063/1.1682673openalex-snapshot

First-principles calculations for defects and impurities: Applications to III-nitrides

inferredcites →https://doi.org/10.1063/1.2204597openalex-snapshot

Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]

inferredcites →https://doi.org/10.1063/1.336756openalex-snapshot

High-pressure and high-temperature crystal chemistry of beryllium oxide

inferredcites →https://doi.org/10.1073/pnas.1003052107openalex-snapshot

Quantum computing with defects

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/physrev.188.657openalex-snapshot

Electron Paramagnetic and Nuclear Double Resonance of F+ Centers in BeO Single Crystals

inferredcites →https://doi.org/10.1103/physrevb.13.1940openalex-snapshot

ESR and ENDOR studies of holes trapped at cation vacancies in BeO

inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot

Special points for Brillouin-zone integrations

inferredcites →https://doi.org/10.1103/physrevb.5.4039openalex-snapshot

Stability of the Wurtzite Structure

inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot

Projector augmented-wave method

inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

inferredcites →https://doi.org/10.1103/physrevb.76.165202openalex-snapshot

Native point defects in ZnO

inferredcites →https://doi.org/10.1103/physrevb.90.075202openalex-snapshot

First-principles theory of nonradiative carrier capture via multiphonon emission

inferredcites →https://doi.org/10.1103/physrevlett.102.016402openalex-snapshot

Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations

inferredcites →https://doi.org/10.1103/physrevlett.51.1888openalex-snapshot

Density-Functional Theory of the Energy Gap

inferredcites →https://doi.org/10.1103/physrevlett.56.2415openalex-snapshot

Accurate Exchange-Correlation Potential for Silicon and Its Discontinuity on Addition of an Electron

inferredcites →https://doi.org/10.1103/physrevlett.61.873openalex-snapshot

Theory of the Atomic and Electronic Structure of DX Centers in GaAs and Al x Ga 1 − x As Alloys

inferredcites →https://doi.org/10.1103/revmodphys.61.689openalex-snapshot

The density functional formalism, its applications and prospects

inferredcites →https://doi.org/10.1103/revmodphys.86.253openalex-snapshot

First-principles calculations for point defects in solids

inferredcites →https://doi.org/10.1126/science.1157233openalex-snapshot

Multipartite Entanglement Among Single Spins in Diamond

inferredcites →https://doi.org/10.1142/s0217984921501487openalex-snapshot

Study on the optical properties for the F-type color center in BeO crystal with first-principles

inferredcites →https://doi.org/10.1146/annurev-matsci-070317-124453openalex-snapshot

First-Principles Calculations of Point Defects for Quantum Technologies

inferredcites →https://doi.org/10.1149/1.2426067openalex-snapshot

The Crystal Structure and Polarity of Beryllium Oxide

inferredcites →https://doi.org/10.1201/9781315380476openalex-snapshot

CRC Handbook of Chemistry and Physics

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4809121openalex-extracted

Theoretical Investigation of Substitutional Si, Mg, and Cr Doping Effects in Beo. Integration of Density Functional Theory Calculations on One Trap – One Recombination Center Model as an Innovative Approach to Thermoluminescence Analysis

inferred← citeshttps://doi.org/10.1016/j.apsusc.2026.168106openalex-snapshot

Atomic layer deposition of ultrawide-bandgap high-k BeO gate dielectrics on Si substrates

inferred← citeshttps://doi.org/10.1016/j.commatsci.2024.113150openalex-snapshot

Quantum defects in BeO layered materials

inferred← citeshttps://doi.org/10.1016/j.physb.2024.416700openalex-snapshot

Thermoluminescence characteristics of BeO doped with Si, Mg, and Cr: Density functional theory calculations and One trap – One recombination center model simulations

inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c07667openalex-snapshot

Segregation and Oxidation Behavior in Be {1011} Grain Boundary by First-Principles Calculations

inferred← citeshttps://doi.org/10.1063/5.0205525openalex-snapshot

First-principles calculations of defects and electron–phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes

inferred← citeshttps://doi.org/10.1063/5.0211707openalex-snapshot

First-principles study of defects and doping limits in CaO

inferred← citeshttps://doi.org/10.1063/5.0250329openalex-snapshot

First principles studies of defect centers in two-dimensional NaCl associated with spin qubits

inferred← citeshttps://doi.org/10.1103/physrevapplied.22.044047openalex-snapshot

Optimizing the n -type carrier concentration of an InVO 4 photocatalyst by codoping with donors and intrinsic defects

inferred← citeshttps://doi.org/10.1103/physrevmaterials.8.094604openalex-snapshot

Intrinsic origins of broad luminescence in melt-grown ZnGa 2 O 4 single crystals

inferred← citeshttps://doi.org/10.1103/physrevmaterials.9.026201openalex-snapshot

Solid-state quantum defects in wide band-gap two-dimensional silica bilayer

inferred← citeshttps://doi.org/10.2139/ssrn.4877090openalex-snapshot

Theoretical Investigation of Substitutional Si, Mg, and Cr Doping Effects in Beo. Integration of Dft Calculations on One Trap – One Recombination Center Model as an Approach to Thermoluminescence Experimental Analysis

inferred← citeshttps://doi.org/10.3390/cryst15060574openalex-snapshot

Raman Characterization of Dioxygen Species as Defects in Single-Crystal ZnO Including Their Pressure Dependence

inferred← citeshttps://doi.org/10.70675/8c99fe00z2b57z47a5z84b5z9134715df518openalex-snapshot

New theoretical method to design quasi-atomic systems in the band gap of semiconductors by combining density functional theory (DFT) and the Hubbard effective Hamiltonian : an application to alpha (α) boron

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