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Strategies for designing two-dimensional nonlinear optical layers from KBBF and BBO crystals

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Abstract

Two-dimensional (2D) nonlinear optical (NLO) monolayers are brilliant candidates for future nanoscale laser devices, typically within the ultra-violet (UV) range. While for bulk crystals, KBe2BO3F2 (KBBF) and β-BaB2O4 (BBO) are the two NLO crystals most applied in the UV region. In this article, we designed a series of 2D-KBBF and 2D-BBO monolayer families, which were predicted by first-principles calculations to be transparent in the deep ultra-violet (DUV) to visible (vis) range. And their NLO effects are also enhanced compared to the bulk. Both 2D-BBO and 2D-KBBF preserve the planar triangular borate ion structures.

Graphical abstract: Strategies for designing two-dimensional nonlinear optical layers from KBBF and BBO crystals

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Article information


Submitted
11 Feb 2020
Accepted
21 Apr 2020
First published
22 Apr 2020

Mol. Syst. Des. Eng., 2020, Advance Article
Article type
Paper

Strategies for designing two-dimensional nonlinear optical layers from KBBF and BBO crystals

G. Yang, Mol. Syst. Des. Eng., 2020, Advance Article , DOI: 10.1039/D0ME00019A

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