From oxides to oxysulfides: the mixed-anion GeS 3 O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials.

Authors :: Tian X
Zhang X
Xiao Y
Wu X
Zhang B
Yang D
Wu K
Source :: RSC advances [RSC Adv] 2022 Jun 01; Vol. 12 (25), pp. 16296-16300. Date of Electronic Publication: 2022 Jun 01 (Print Publication: 2022).
Publication Year :: 2022
Abstract: Oxysulfides combining intrinsic performance advantages between sulfides (strong NLO response) and oxides (wide optical bandgap) are proposed as potential infrared (IR) NLO materials. Theoretical calculation shows that the mixed-anion GeS <subscript>3</subscript> O tetrahedron has a stronger polarizability anisotropy and hyperpolarizability than that of the typical GeO <subscript>4</subscript> unit. Based on this, two Sr <subscript>2</subscript> MGe <subscript>2</subscript> S <subscript>6</subscript> O (M = Zn, Cd) oxysulfides with the GeS <subscript>3</subscript> O unit show dozens of times improvement in critical birefringence and the NLO effect compared with those of isostructural Sr <subscript>2</subscript> ZnGe <subscript>2</subscript> O <subscript>7</subscript> . Moreover, structure-property study further verifies that the mixed-anion GeS <subscript>3</subscript> O ligand is a useful NLO-active unit and can offer great influence over the NLO origin. This research result also gives us a feasible design strategy and research system to explore new IR NLO candidates.<br />Competing Interests: There are no conflicts to declare.<br /> (This journal is © The Royal Society of Chemistry.)

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