Achieving a strong second harmonic generation response and a wide band gap in a Hg-based material

Abstract

A new Hg-based Infrared nonlinear optical (IR NLO) crystal, [Ba4Cl2][HgGa4S10] was synthesized based on the property-oriented structural design strategy. It crystallizes in noncentrosymmetric tetragonal space group (I4(_)) and consists of...

[ASr4Cl][Ge3S10] (A = Na, K) and [KBa4Cl][Ge3S10]: new salt-inclusion infrared nonlinear optical crystals with zero-dimensional [Ge3S9] clusters

“…The fine mixing of the covalent and ionic bonds in the structure have been considered to be an effective strategy for the design of excellent IR nonlinear optical materials. 23,24…”

“…The fine mixing of the covalent and ionic bonds in the structure have been considered to be an effective strategy for the design of excellent IR nonlinear optical materials. 23,24 Guided by the above ideas, we have focused our research interests on the A/B/Ge/S/Cl (A = alkali, B = alkaline-earth metal) system, where there are few compounds reported. 25,26 After continuous attempts, three new salt-inclusion chalcogenides, [ASr 4 Cl][Ge 3 S 10 ] (A = Na, K) and [KBa 4 Cl][Ge 3 S 10 ], have been successfully synthesized by the flux method.…”

[K2PbX][Ga7S12] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

“…[26] Alternately, salt-inclusion chalcogenides (SICs) [A x X y ][M m Q n ] (A: alkali, alkali-earth, or rare metals; X: halogen; M: transition metal or main group; Q: chalcogen) have been synthesized and characterized by us and other researchers. [27][28][29][30][31][32][33][34][35][36][37] Such a compound contains covalent anionic groups that enable polarization ability for remarkable SHG responses as well as strong electropositive alkali (or alkaline, rare earth) metals and electronegative halogens in cationic groups that are conducive to obtaining wide band gaps for enhancing LIDTs; examples include recently discovered [A 3 X][Ga 3 PS 8 ] (A = K, Rb; X = Cl, Br), [27] [ABa 2 Cl][Ga 4 S 8 ] (A = Rb, Cs), [28] [ABa 3 Cl 2 ][Ga 5 S 10 ] (A = K, Rb, Cs), [29] [K 4 Cl][CdGa 9 Q 16 ] (Q = S, Se), [30] [K 3 Cl][Mn 2 Ga 6 S 12 ], [31] and [NaBa 4 Cl][Ge 3 S 10 ]. [32] Furthermore, SICs exhibit structural features that allow the building blocks of the hosts and guests to be flexibly optimized, thereby providing infinite possibilities for NLO material design.…”

Open honeycomb frameworks of sulphides AHg4Ga5S12(A = Rb, Cs) exhibiting infrared nonlinear optical properties

“…Moreover, wide optical band gaps are generally proportional to LIDT. 25 Highly electropositive alkali or alkali-earth metals, as well as salt-inclusion cations, are frequently introduced in compounds to widen their band gaps and benefit LIDTs, such as Li 2 CdGeS 4 , 26 Na 2 ZnGe 2 S 6 , 18 SrCu 2 SnS 4 , 27 A 2 SnS 5 (A = Ba, Sr), 28 AGa 5 S 8 (A = K, Rb, Cs), 29 [Ba 4 Cl 2 ][HgGa 4 S 10 ], 30 and [ABa 2 Cl][Ga 4 S 8 ] (A = Rb, Cs). 8…”