Highly polarized [GeOTe₃] motif-driven structural order promotion and an enhanced second harmonic generation response in the new nonlinear optical oxytelluride Ba₃Ge₂O₄Te₃

Abstract

The hybrid anion strategy has been illustrated to be an effective way to design and synthesize high-performance nonlinear optical (NLO) crystals. Herein, a new NLO-active oxytelluride with highly polarized [GeOTe3]...

Enhanced Second-Harmonic-Generation Efficiency and Birefringence in Melillite Oxychalcogenides Sr2MGe2OS6 (M = Mn, Zn, and Cd)

“…Remarkably, Sr 2 MGe 2 OS 6 (M = Mn, Zn, and Cd) possesses superior IR-NLO comprehensive properties compared with the current benchmark of AgGaS 2 , including the PM feature, strong d eff (0.3–0.8 × AgGaS 2 ), giant LIDTs (>17 × AgGaS 2 ), a large band gap (>3.5 eV), as well as broad IR transmission cutoff regions (0.28–12.0 μm). Moreover, a balanced performance of the SHG response (× AgGaS 2 ) and E g (eV) of Sr 2 MGe 2 OS 6 (M = Mn, Zn, and Cd) and reported PM oxychalcogenides ,− is also plotted in Figure b and listed in Table S2. Sr 2 CdGe 2 OS 6 and Sr 2 ZnGe 2 OS 6 exhibit an optimal comprehensive strength ( E g ≥ 3.5 eV and d eff ≥ 0.5 compared to the benchmark AgGaS 2 in the green area).…”

Phase matching achieved by isomorphous substitution in IR nonlinear optical material Ba2SnSSi2O7with an undiscovered [SnO4S] functional motif

“…2a), which is the third example that breaks through the ''4.0 eV wall'' in NCS oxychalcogenides. [40][41][42][43][44][45][46] In addition, optical transmittance curves measured using the single-crystal sample (ca. 0.5 Â 0.5 Â 0.1 mm 3 ) without any treatment (Fig.…”

“…S6 (ESI †) displays the timeline of mixed-anion NLO-active motifs reported in NCS oxychalcogenides. [40][41][42][43][44][45][46] Different from common four-coordinated geometries in oxychalcogenides, five-coordinated [SnO 4 S] acts as a new type of functional unit in IR-NLO crystals to confer strong d eff and large Dn. Such square-pyramidal motifs may inspire a route to exploring new frontiers of IR-NLO crystals of practical utility.…”

“…Oxychalcogenides, which combine the performance advantages of both chalcogenides (strong d eff ) and oxides (wide E g ), have recently been recognized as promising candidates for IR-NLO applications. [40][41][42][43][44][45][46] Notably, most of them can be obtained by partial chemical substitution of known oxides, which provides a good structural platform to investigate the influence of hetero-ligand functional groups on the structure-activity relationships. With this in mind, the first PM fresnoite-type oxychalcogenide Ba 2 SnSSi 2 O 7 has been successfully designed and synthesized via isomorphous substitution of the NPM parent Ba 2 TiOSi 2 O 7 .…”

Ba6In2Ge2Te15: a THz birefringent material with an intriguing quasi-[Te5]4− chain possessing large optical anisotropy and an ultrawide transmission range

“…S4b, ESI †). 45 Furthermore, density functional theory (DFT) calculations utilizing the CASTEP packages were performed to analyze the electronic band structure of Ba 6 In 2 Ge 2 Te 15 . As shown in Fig.…”