LiMg(IO₃)₃: an excellent SHG material designed by single-site aliovalent substitution

Abstract

An excellent SHG iodate, LiMg(IO3)3, has been obtained via the aliovalent substitution of defect-containing MIV sites with ordered Mg2+.

K3V2O3F4(IO3)3: a high-performance SHG crystal containing both five and six-coordinated V5+ cations

“…Of great importance are metal iodates which can exhibit high SHG response (d ij > 10 × KDP) or/and large birefringence (Δn > 0.15 @1064 nm). [13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29] Recently, two new effective routes to high performance metal iodate SHG crystals have been developed. One is using the 2D [Bi 2 O 2 ] 2+ layer and 3D [BiF 2 ] + cationic network for confined the iodate anions to be arranged in a favorable addictive fashion, which has successfully led to the discovery of BiO(IO 3 ) (12.5 × KDP) 20 and Bi(IO 3 )F 2 (11.5 × KDP, 0.22 @1064 nm) 21 .…”

Explorations of New SHG Materials in Mercury Iodate Sulfate System**

“…With the stereochemically active lone pair (SCALP) electrons on I(V), the highly distorted IO 3 − , IO 4 3− and IO x F y n − groups exhibit large microscopic SHG coefficients [12] . For instance, LiMg(IO 3 ) can generate a strong SHG signal of 24×KDP at 1064 nm, and also has a band gap as wide as 4.34 eV [13] . When IO 3 − , and IO 4 3− anions polymerize into polyiodates, the spatial density of NLO active groups in the crystal increases [14] .…”

Syntheses, Structures and Properties of Alkali and Alkaline Earth Metal Diamond-Like Compounds Li2MgMSe4 (M = Ge, Sn)

“…The Li1 and Mg1 atoms are set to share the same sites with the atomic ratio of 1:1 in the initial refinements with the identical anisotropic displacement parameters, which can help to obtain better R values and reasonable temperature factors, similar to the situation of Cu/Mg atomic co-occupation in Cu 2 MgSiS 4 [ 44 ], Cu 2 MgGeS 4 [ 44 ] and Cu 2 MgSiSe 4 [ 44 ]. Furthermore, Li/Mg atomic co-occupation is very common, which can be found in the LiMg(IO 3 ) 3 [ 45 ] and Li 0.8 Mg 2.1 B 2 O 5 F [ 46 ]. Similar to the Li2 and Sn1 atoms, the co-occupied Li1 and Mg1 atoms are bonded to four Se atoms to construct the [(Li/Mg)Se 4 ] tetrahedra units at the Wyckoff position 4b ( Table S7 ).…”