Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr₆A₄M₄S₁₆ (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials

Abstract

Coordinated regulation on physiochemical performances activated from mixed anionic ligands in a new series of IR NLO materials was systematically investigated.

Structural, Optical, and Electronic Properties of Two Quaternary Chalcogenide Semiconductors: Ag2SrSiS4 and Ag2SrGeS4

“…The impurity phases can be identified by single-crystal XRD as Ag 2 Sr 3 Si 2 S 8 (for the Si-based compound) and by comparing calculated powder XRD patterns as Ag 2 Sr 3 Ge 2 S 8 (for the Ge-based compound, see Figure S5). 62 These two new compounds are II-atom rich quaternary systems related to the previously reported Ag 2 Sr 3 1 and Table S10). This comparison shows that there is little to no detectable structural change in the target compounds (Ag 2 SrSiS 4 and Ag 2 SrGeS 4 ) when grown from various stoichiometries, as the change in lattice constants between the stoichiometric and SrS-reduced cases falls within experimental resolution.…”

“…The impurity phases can be identified by single-crystal XRD as Ag 2 Sr 3 Si 2 S 8 (for the Si-based compound) and by comparing calculated powder XRD patterns as Ag 2 Sr 3 Ge 2 S 8 (for the Ge-based compound, see Figure S5). These two new compounds are II-atom rich quaternary systems related to the previously reported Ag 2 Sr 3 Ge 2 Se 8 and Cu 2 Ba 3 Sn 2 S 8 and form in the cubic space group I 4̅3 d , as described for Ag 2 Sr 3 Si 2 S 8 in Table . As seen in Figure S5, a mixture of Ag 2 SrSiS 4 (Ag 2 SrGeS 4 ) and Ag 2 Sr 3 Si 2 S 8 (Ag 2 Sr 3 Ge 2 S 8 ) can account for all of the reflections seen in the experimental diffraction patterns of the samples prepared from stoichiometric starting reactions.…”

“…During the synthesis of these two new compounds, a secondary phase is often found to co-exist with Ag 2 SrSiS 4 and Ag 2 SrGeS 4 , unless the compounds are prepared under Sr-poor conditions. Single crystals of the impurity phase in the Ag 2 SrSiS 4 -targeted synthesis have been isolated and identified through single-crystal X-ray analysis as Ag 2 Sr 3 Si 2 S 8 ; by comparison to the calculated X-ray diffraction pattern from ref , the analogous impurity phase in the Ag 2 SrGeS 4 synthesis is found to be Ag 2 Sr 3 Ge 2 S 8 (or Sr 6 Ag 4 Ge 4 S 16 ) . Each of these impurity phases adopts the cubic space group I 4̅3 d .…”

“…Single crystals of the impurity phase in the Ag 2 SrSiS 4 -targeted synthesis have been isolated and identified through single-crystal X-ray analysis as Ag 2 Sr 3 Si 2 S 8 ; by comparison to the calculated X-ray diffraction pattern from ref 62, the analogous impurity phase in the Ag 2 SrGeS 4 synthesis is found to be Ag 2 Sr 3 Ge 2 S 8 (or Sr 6 Ag 4 Ge 4 S 16 ). 62 Each of these impurity phases adopts the cubic space group I4̅ 3d. The optical and electronic properties of Ag 2 SrSiS 4 and Ag 2 SrGeS 4 were then evaluated by experimental and theoretical methods.…”

Sr6(Li2Cd)A4S16 (A = Ge, Sn): How to Go beyond the Band Gap Limitation via Site-Specific Modification

“…For instance, the E g value increases from 2.75 eV in Ba 6 (Cd 2 )­Sn 4 S 16 to 3.02 eV in Ba 6 (Li 2 Cd)­Sn 4 S 16 and to 3.30 eV in Ba 6 (Li 2 Zn)­Sn 4 S 16 . It is also worth mentioning that the majority of these members are Sn compounds and the isostructural Ge counterparts have been relatively less studied, and only one report has been found to date.…”