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Insight into the Damage Mechanism of KH 2PO 4 Crystals with Bak-Sip by Hybrid Density Functional Theory

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

inferredcites →https://doi.org/10.1016/j.jcrysgro.2004.09.067openalex-snapshot

On the mechanism of impurity influence on growth kinetics and surface morphology of KDP crystals—I: defect centres formed by bivalent and trivalent impurity ions incorporated in KDP structure—theoretical study

inferredcites →https://doi.org/10.1016/j.jpcs.2020.109542openalex-snapshot

Study of cation vacancies with localized hole states in MgAl2O4 crystals

inferredcites →https://doi.org/10.1016/j.jpcs.2023.111704openalex-snapshot

Computational study of self-trapped hole in KH2PO4–Si crystal

inferredcites →https://doi.org/10.1016/j.mtcomm.2024.109141openalex-snapshot

Optical properties of Ba-impurity defect clusters in KH2PO4 crystals

inferredcites →https://doi.org/10.1016/j.optmat.2022.113130openalex-snapshot

Optical and laser damage properties of 98% deuterium DKDP crystal in different crystal orientations

inferredcites →https://doi.org/10.1038/s41377-022-00929-yopenalex-snapshot

Progress on deuterated potassium dihydrogen phosphate (DKDP) crystals for high power laser system application

inferredcites →https://doi.org/10.1039/d0ra03136dopenalex-snapshot

Second harmonic generation responses of KH 2 PO 4 : importance of K and breaking down of Kleinman symmetry

inferredcites →https://doi.org/10.1039/d2ce01285eopenalex-snapshot

Hybrid density functional theory calculations for the electronic and optical properties of Fe 3+ -doped KDP crystals

inferredcites →https://doi.org/10.1039/d3ce00730hopenalex-snapshot

Study on the optical properties and electronic structures of Ba-doped KH 2 PO 4 crystals

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

Hybrid functionals based on a screened Coulomb potential

inferredcites →https://doi.org/10.1063/1.1620680openalex-snapshot

Production and thermal decay of radiation-induced point defects in KD2PO4 crystals

inferredcites →https://doi.org/10.1063/1.478401openalex-snapshot

Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

inferredcites →https://doi.org/10.1063/1.4948245openalex-snapshot

Tutorial: Defects in semiconductors—Combining experiment and theory

inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot

Density-functional exchange-energy approximation with correct asymptotic behavior

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.59.1758openalex-snapshot

From ultrasoft pseudopotentials to the projector augmented-wave method

inferredcites →https://doi.org/10.1103/physrevb.78.235104openalex-snapshot

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

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.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.55.1665openalex-snapshot

Accurate Density Functional for the Energy: Real-Space Cutoff of the Gradient Expansion for the Exchange Hole

inferredcites →https://doi.org/10.1103/physrevlett.67.2339openalex-snapshot

Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion

inferredcites →https://doi.org/10.1103/physrevlett.91.127402openalex-snapshot

Wavelength Dependence of Laser-Induced Damage: Determining the Damage Initiation Mechanisms

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

First-principles calculations for point defects in solids

inferredcites →https://doi.org/10.1116/1.3533269openalex-snapshot

Multiphonon hole trapping from first principles

inferredcites →https://doi.org/10.1179/095066001225001085openalex-snapshot

Developing KH 2 PO 4 and KD 2 PO 4 crystals for the world's most power laser

inferredcites →https://doi.org/10.1364/oe.17.010434openalex-snapshot

Simple models for laser-induced damage and conditioning of potassium dihydrogen phosphate crystals by nanosecond pulses

inferredcites →https://doi.org/10.1364/oe.18.013788openalex-snapshot

Investigation of the electronic and physical properties of defect structures responsible for laser-induced damage in DKDP crystals

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