Effect of exposed crucible wall on the Czochralski growth of an LN crystal

Abstract

The thermal field systems of 3-inch and 4-inch lithium niobate crystal grown by induction heating Czochralski method were designed, and both of the thermal fields were simulated. The effect of...

Influence of Cr3+ cluster defects on crystal structure and optical properties of KDP crystals studied by DFT and UV-Vis

“…The force convergence criterion for structural relaxation was set to 0.01 eV Å À1 . 17,31 The electronic wave functions were expanded as plane waves using an energy cutoff of 680 eV. [32][33][34][35] In our previous study, the Heyd-Scuseria-Ernzerhof (HSE06) [36][37][38] hybrid functional method was more suitable for calculating the electronic properties of the KDP crystals because the band gap obtained using this calculation method (7.2 eV 17,21 ) was similar to the experimental value (B7.6 eV 39 ).…”

Flat Shoulder Congruent Lithium Niobate Crystals Grown by the Czochralski Method

“…1. The temperature field of crystal growth is obtained by solving the coupled partial differential equation of electromagnetic induction heating, heat conduction, and melt N-S [22] . The calculation results of the last stage are regarded as the initial state, and the temperature field of the next stage is studied iteratively.…”

Study on the optical properties and electronic structures of Ba-doped KH2PO4 crystals

“…10,17 Therefore, it is significant to research the influence of point defects on KDP crystals to enhance device quality and performance. 15,18 Negative divalent interstitial oxygen has been studied, which leads to the ejection of two H ions from their normal position to form two hydrogen vacancies and one H 2 O molecule, and this can be used to explain the reported decomposition of KDP during laser-induced breakdown. 15 Past studies have shown the effect of interstitial hydrogen and hydrogen vacancies on the KDP crystal structure and the induced defect states in the band gap are dependent on their charge states.…”

“…16 The electronic and optical properties of oxygen vacancy defects have also been investigated. 18 These defects will lead to a reduction in band gap and induce additional absorption peaks at 6.4 eV and large distortions in the H-O bond, all of which will lower the laser-induced damage threshold. 18 Numerous studies have found that bonds have a tremendous effect on the optical properties.…”

“…18 These defects will lead to a reduction in band gap and induce additional absorption peaks at 6.4 eV and large distortions in the H-O bond, all of which will lower the laser-induced damage threshold. 18 Numerous studies have found that bonds have a tremendous effect on the optical properties. 21,22 Fe substitution defects were also investigated and two defect states were found to exist in the band gap, they are at 2.2 eV and 6.6 eV and have a 278 nm optical absorption.…”