Rational designviadual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties

Abstract

A new promising IR-NLO material SrCdSiS4 with a 2D layered structure has been designed via a dual-site isovalent substitution strategy. Remarkably, it is the first report on an alkaline-earth metal-based IR-NLO material that breaks through the wall of Eg > 3.5 eV and deff > 1 × AgGaS2.

Oxychalcogenides as Promising Ultraviolet Nonlinear Optical Candidates: Experimental and Theoretical Studies of AEGeOS2(AE = Sr and Ba)

“…These large Δ n values illustrate that AEGeOS 2 (AE = Sr and Ba) can realize PM in theory from the UV–vis to IR intervals. In addition, AEGeOS 2 (AE = Sr and Ba) exhibit strong optical anisotropy with n x > n z ( n x and n z , respectively, represent the refractive indexes of ordinary and extraordinary light) and the minimum phase matching cutoff wavelengths were calculated using the equation n x (2ω) = n z (ω). − As revealed in Figure c,d, the calculated PM ranges of the SHG response are 390 nm for SrGeOS 2 and 380 nm for BaGeOS 2 based on the dispersion curves of refractive indices.…”

d6versus d10, Which Is Better for Second Harmonic Generation Susceptibility? A Case Study of K2TGe3Ch8 (T = Fe, Cd; Ch = S, Se)

“…Another point worth mentioning here would be the distortion degree of [CdS 4 ] and [FeS 4 ] tetrahedra. For a tetrahedral [MX 4 ], the distortion degree can be determined by the following formula: normalΔ d = ( 1 4 ) ∑ true[ d i − d d true] , where d i represents the length of four individual M–X bonds and d is the average length of the four bonds. − To better estimate the distortion degree, we employed a modified calculation equation: normalΔ d = ( 1 4 ) ∑ true[ | d i − d d | true] . The detailed distortion degree results for all tetrahedrons of K 2 TGe 3 Ch 8 (T = Fe, Cd; Ch = S, Se) are summarized in Table S7.…”

Interesting dimensional transition through changing cations as the trigger in multinary thioarsenates displaying variable photocurrent response and optical anisotropy

“…As known, the Δ n value will mainly depend on the anisotropy of the anionic substructure, whereas the contribution of charge-balancing cations can be neglected. 45–50 In other words, compared with the 3D anionic [CdAs 4 S 8 ] 2− framework in [(NH 4 )Cs]CdAs 4 S 8 , the anisotropy of the 2D anionic [ZnAs 4 S 8 ] 2− layer in Cs 2 ZnAs 4 S 8 is more obvious, which is more beneficial for producing larger Δ n values.…”

“…As known, the Δn value will mainly depend on the anisotropy of the anionic substructure, whereas the contribution of chargebalancing cations can be neglected. [45][46][47][48][49][50] In other words, compared with the 3D anionic [CdAs 4 S 8 ] 2− framework in [(NH 4 )Cs] CdAs 4 S 8 , the anisotropy of the 2D anionic [ZnAs 4 S 8 ] 2− layer in Cs 2 ZnAs 4 S 8 is more obvious, which is more beneficial for producing larger Δn values. In particular for [(NH 4 )Cs]CdAs 4 S 8 , the calculated birefringence values are 0.29@1064 nm and 0.31@2050 nm, respectively, suggesting its potential for application as a dual-waveband birefringent crystal.…”