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Comparison of hydrogen vacancies in KDP and ADP crystals: a combination of density functional theory calculations and experiment

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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/crat.201000127openalex-snapshot

Growth and thermal studies on pure ADP, KDP and mixed K1‐x(NH4)xH2PO4 crystals

inferredcites →https://doi.org/10.1002/crat.201600075openalex-snapshot

KDP single crystal growth via three‐dimensional motion growth method

inferredcites →https://doi.org/10.1007/b138685openalex-snapshot

Nonlinear Optical Crystals: A Complete Survey

inferredcites →https://doi.org/10.1007/bf01729345openalex-snapshot

Electrical conductivity and dielectric loss studies of MoO 4 2- -doped KH2PO4 single crystals

inferredcites →https://doi.org/10.1007/bf01729871openalex-snapshot

Electrical conductivity and dielectric loss studies of MoO 4 2- -doped NH4H2PO4 single crystals

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.actamat.2007.04.005openalex-snapshot

Prediction of high-temperature point defect formation in TiO2 from combined ab initio and thermodynamic calculations

inferredcites →https://doi.org/10.1016/j.jcrysgro.2005.09.040openalex-snapshot

Chemical bond analysis of the crystal growth of KDP and ADP

inferredcites →https://doi.org/10.1016/j.jcrysgro.2007.11.008openalex-snapshot

Crystal growth of KDP, ADP, and KADP

inferredcites →https://doi.org/10.1016/j.molstruc.2005.01.016openalex-snapshot

Morphology and structure studies of KDP and ADP crystallites in the water and ethanol solutions

inferredcites →https://doi.org/10.1016/s0022-0248(00)00929-5openalex-snapshot

Large crystal growth and measurement of electro-optical coefficients of ADP

inferredcites →https://doi.org/10.1016/s0254-0584(01)00525-9openalex-snapshot

Nucleation studies and crystal growth of (NH4)H2PO4 doped with thiourea in supersaturated aqueous solutions

inferredcites →https://doi.org/10.1021/jp811138nopenalex-snapshot

van der Waals Interactions in Density Functional Theory Using Wannier Functions

inferredcites →https://doi.org/10.1038/srep01605openalex-snapshot

Non-critical phase-matching fourth harmonic generation of a 1053-nm laser in an ADP crystal

inferredcites →https://doi.org/10.1039/c6ce01492eopenalex-snapshot

The rapid growth of ADP single crystal

inferredcites →https://doi.org/10.1039/c7ra13212copenalex-snapshot

Stability and electronic structure of hydrogen vacancies in ADP: hybrid DFT with vdW correction

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

Hybrid functionals based on a screened Coulomb potential

inferredcites →https://doi.org/10.1063/1.1679018openalex-snapshot

Direct current conduction in ammonium and potassium dihydrogen phosphate

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

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

inferredcites →https://doi.org/10.1063/1.1750821openalex-snapshot

Theory of the Transition in KH2PO4

inferredcites →https://doi.org/10.1063/1.2187006openalex-snapshot

Screened hybrid density functionals applied to solids

inferredcites →https://doi.org/10.1063/1.2404663openalex-snapshot

Influence of the exchange screening parameter on the performance of screened hybrid functionals

inferredcites →https://doi.org/10.1063/1.3647912openalex-snapshot

Calculating dispersion interactions using maximally localized Wannier functions

inferredcites →https://doi.org/10.1063/1.478522openalex-snapshot

Toward reliable density functional methods without adjustable parameters: The PBE0 model

inferredcites →https://doi.org/10.1063/1.89300openalex-snapshot

Efficient harmonic generation from 532 to 266 nm in ADP and KD*P

inferredcites →https://doi.org/10.1088/1742-6596/688/1/012024openalex-snapshot

Habit control of deuterated potassium dihydrogen phosphate crystal for laser applications

inferredcites →https://doi.org/10.1098/rspa.1953.0195openalex-snapshot

A neutron diffraction study of potassium dihydrogen phosphate by Fourier synthesis

inferredcites →https://doi.org/10.1103/physrev.70.529openalex-snapshot

Elastic, Piezoelectric, and Dielectric Properties of Sodium Chlorate and Sodium Bromate

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

Special points for Brillouin-zone integrations

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.55.13783openalex-snapshot

First-principles calculations for charged states of hydrogen atoms in SiO2

inferredcites →https://doi.org/10.1103/physrevb.61.15019openalex-snapshot

First-principles study of native point defects in ZnO

inferredcites →https://doi.org/10.1103/physrevb.68.224107openalex-snapshot

Electronic structure calculations of intrinsic and extrinsic hydrogen point defects in KH2PO4

inferredcites →https://doi.org/10.1103/physrevb.78.174103openalex-snapshot

Stability of intrinsic defects and defect clusters in LiNbO3 from density functional theory calculations

inferredcites →https://doi.org/10.1103/physrevb.92.195201openalex-snapshot

Deep recombination centers in C u 2 ZnSnS e 4 revealed by screened-exchange hybrid density functional theory

inferredcites →https://doi.org/10.1103/physrevlett.100.053002openalex-snapshot

Van der Waals Interactions in DFT Made Easy by Wannier Functions

inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot

Generalized Gradient Approximation Made Simple

inferredcites →https://doi.org/10.1103/physrevlett.91.015505openalex-snapshot

Electron- or Hole-Assisted Reactions of H Defects in Hydrogen-Bonded KDP

inferredcites →https://doi.org/10.1103/physrevlett.98.267601openalex-snapshot

Origin of Antiferroelectricity in NH4H2PO4 from First Principles

inferredcites →https://doi.org/10.1107/s0365110x53000776openalex-snapshot

X-ray analysis of the ferroelectric transition in KH2PO4

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/10.1201/9781003062844openalex-snapshot

KDP-family Single Crystals

inferredcites →https://doi.org/10.1364/ao.16.001798openalex-snapshot

KDP and ADP transmission in the vacuum ultraviolet

inferredcites →https://doi.org/10.1364/ao.21.003633openalex-snapshot

Large aperture harmonic conversion experiments at Lawrence Livermore National Laboratory

inferredcites →https://doi.org/10.1364/ao.54.004167openalex-snapshot

Evaluating the safe limit of large-aperture potassium dihydrogen phosphate crystals associated with transverse stimulated Raman scattering

inferredcites →https://doi.org/10.1557/adv.2017.356openalex-snapshot

A Model for Estimating Chemical Potentials in Ternary Semiconductor Compounds: the Case of InGaAs

inferredcites →https://doi.org/10.1557/jmr.2017.474openalex-snapshot

Dopant–dopant interactions in beryllium doped indium gallium arsenide: An ab initio study

What points at this work

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

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Compensation Mechanisms, Optical Properties, and Electronic Structures for the Ba Impurities in Kh2po4 Crystals

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Insight into the Stability and Properties of Zn‐Doped KH2PO4 Crystal by Hybrid Density Functional Theory

inferred← citeshttps://doi.org/10.1002/pssr.202400184openalex-snapshot

Study of Migration Behavior and Optical Properties of Self‐Trapped Hole by Hydrogen Vacancy in KH2PO4 Crystal

inferred← citeshttps://doi.org/10.1007/s11664-023-10827-7openalex-snapshot

The Structural and Optical Properties of Mn/Fe-Doped KDP Crystals: A First-Principles Calculation

inferred← citeshttps://doi.org/10.1007/s11837-024-06975-8openalex-snapshot

The Effects of Defect Cluster CaK-SiP on the Structure and Laser Damage for KDP Crystals: A First-Principles Study

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Study on the intrinsic defects in KH2PO4 crystals

inferred← citeshttps://doi.org/10.1016/j.ceramint.2021.12.276openalex-snapshot

532 nm laser damage and nonlinear absorption of Cr2O72− doped KDP crystals

inferred← citeshttps://doi.org/10.1016/j.ceramint.2024.01.080openalex-snapshot

Properties of nonlinear optical absorption and refraction of rapidly grown KDP crystals

inferred← citeshttps://doi.org/10.1016/j.commatsci.2020.109783openalex-snapshot

Comparison of oxygen vacancy and interstitial oxygen in KDP and ADP crystals from density functional theory calculations

inferred← citeshttps://doi.org/10.1016/j.commatsci.2023.112666openalex-snapshot

Insight into effect of high pressure on the structural, electronic, and optical properties of KH2PO4

inferred← citeshttps://doi.org/10.1016/j.commatsci.2026.115059openalex-snapshot

Electronic structure and optical effects of Ga interstitials in KDP crystals: A DFT investigation

inferred← citeshttps://doi.org/10.1016/j.jcrysgro.2022.126816openalex-snapshot

Effect of Al(III) impurity on the crystallization of ammonium dihydrogen phosphate (ADP) from aqueous solutions by cooling method

inferred← citeshttps://doi.org/10.1016/j.jpcs.2023.111704openalex-snapshot

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

inferred← citeshttps://doi.org/10.1016/j.optcom.2025.132127openalex-snapshot

Fluence-dependent laser conditioning enhancement of laser induced damage properties in DKDP crystals

inferred← citeshttps://doi.org/10.1016/j.optlastec.2022.108538openalex-snapshot

Enhanced 532 nm laser damage threshold and optical performance of KDP crystals by Zn2+ doping

inferred← citeshttps://doi.org/10.1016/j.optmat.2021.110995openalex-snapshot

Study on optical performance and 532 nm laser damage of rapidly grown KDP crystals

inferred← citeshttps://doi.org/10.1016/j.optmat.2024.116258openalex-snapshot

Femtosecond laser-induced damage on the surface of KDP crystals by Zn2+ doping

inferred← citeshttps://doi.org/10.1016/j.physb.2022.414233openalex-snapshot

Reversible disorder-order type structural phase transition of potassium dihydrogen phosphate bulk single crystals induced by dynamic shock waves

inferred← citeshttps://doi.org/10.1016/j.vacuum.2023.112512openalex-snapshot

Electronic structures and optical properties of defective KDP with V-doped: A first-principles study

inferred← citeshttps://doi.org/10.1038/s41377-022-00929-yopenalex-snapshot

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

inferred← citeshttps://doi.org/10.1039/c9ce01937eopenalex-snapshot

Structural stress and extra optical absorption induced by the intrinsic cation defects in KDP and ADP crystals: a theoretical study

inferred← citeshttps://doi.org/10.1039/d0ra01291bopenalex-snapshot

Atomic dynamics of stress-induced lattice misalignment structures in a KDP subsurface

inferred← citeshttps://doi.org/10.1039/d1ce00987gopenalex-snapshot

First-principles studies on optical absorption of [010] screw dislocation in KDP crystals

inferred← citeshttps://doi.org/10.1039/d1ce01140eopenalex-snapshot

Hybrid density functional theory for the stability and electronic properties of Fe-doped cluster defects in KDP crystal

inferred← citeshttps://doi.org/10.1039/d2ce00335jopenalex-snapshot

Electron paramagnetic resonance spectroscopy and first-principles calculations of Cr 3+ doped KDP crystals

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

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Study on the defects of KDP crystal with different states by the positron spectroscopy method

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Structural and electronic properties and optical absorption of oxygen vacancy cluster defects in KDP crystals: hybrid density functional theory investigation

inferred← citeshttps://doi.org/10.1039/d2nr01862dopenalex-snapshot

Determination of intrinsic defects of functional KDP crystals with flawed surfaces and their effect on the optical properties

inferred← citeshttps://doi.org/10.1039/d3ce00730hopenalex-snapshot

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

inferred← citeshttps://doi.org/10.1039/d3ce00922jopenalex-snapshot

Hybrid density functional theory calculations for surface damaged phosphate products of laser irradiated KDP crystals

inferred← citeshttps://doi.org/10.1039/d5ce01097gopenalex-snapshot

Research progress on defect theory of KDP crystals

inferred← citeshttps://doi.org/10.1039/d5cp00091bopenalex-snapshot

Theoretical prediction of cluster configuration transitions and electro-optical properties of Y P defects in KH 2 PO 4 via density functional theory

inferred← citeshttps://doi.org/10.1063/5.0196725openalex-snapshot

The effect of point defects on the electronic structure and optical properties of XH2PO4 (X = Li, Na, Mg, Ca) crystals

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Synergistic effects of amino acid additives in KDP and ADP single crystals: a review of enhanced NLO performance

inferred← citeshttps://doi.org/10.1088/1402-4896/ae4e0aopenalex-snapshot

Zn interstitial defects in KH 2 PO 4 : a first-principles study of optical and electronic properties

inferred← citeshttps://doi.org/10.1088/1402-4896/ae8da1openalex-snapshot

Damage mechanisms of Pb substitution at K sites in KH 2 PO 4 crystals: a hybrid density functional theory study

inferred← citeshttps://doi.org/10.1364/ome.474954openalex-snapshot

Theoretical calculation and experimental research for structural stability and electronic properties induced by certain cluster defects in ADP crystal

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Monte Carlo simulation for KDP crystals induced by ultraviolet nanosecond laser irradiation

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