Analogous Chain Selenite Chlorides BaM(SeO)Cl (M = Cu, Ni, Co, Mn) and PbCu(SeO)Cl with Tunable Spin : Syntheses and Characterizations.

A series of analogous chain selenite chlorides BaM(SeO)Cl (M = Cu , Ni , Co , Mn ) and PbCu(SeO)Cl with tunable spin from = 1/2 to = 5/2 have been hydrothermally synthesized and characterized. These analogues crystallized in the orthorhombic space group (monoclinic 2/ space group for ) all containing M-SeO-M spin chains, which are further separated by the Ba ions (Pb for ). The magnetic susceptibility results of , , and show broad maxima around 80.

LiSrSbS: parallel configurations of lone pair electrons inducing a large birefringence.

Enhancement of birefringence is significant since the birefringent materials can create and control polarized light and be used extensively in various advanced optical systems. By optimizing the arrangement of [SbS] units with stereo-chemical active lone pair electrons, a new quaternary thioantimonate LiSrSbS with a large birefringence has been successfully synthesized by a high temperature solid-state reaction method. LiSrSbS crystallizes in the monoclinic space group of 2/.

[OPb](BO)I: a new lead borate iodide with [OPb] double chains.

A new lead borate iodide, [O2Pb3]2(BO3)I, has been successfully synthesized by a facile hydrothermal reaction. It exhibits an infinite one-dimensional (1D) 1∞[O2Pb3] double chain which is constructed from OPb4 oxygen-centered tetrahedra. The 1∞[O2Pb3] double chains are further bridged by BO3 units via sharing oxygen atoms to form two-dimensional (2D) 2∞[(O2Pb3)2(BO3)] layers with the I- ions situated in the spaces between the layers.

Theoretical investigation on the promotion of second harmonic generation from chalcopyrite family AGaS to AGaS.

The chalcopyrite structure is a rich source for the exploration of new IR materials. However, not all of the compounds with a chalcopyrite-type structure exhibit satisfactory optical properties, which may originate from their different microstructure features. In this work, we selected four classical chalcopyrite materials, AGaS (A = Ag, Cu) with normal structures and AGaS (A = Zn, Hg) with defect structures, to study their electronic structures, optical properties including the contribution of ions and ion groups to their band gaps, SHG responses and birefringences by the first-principles method.

LiBaMQ (M = Al, Ga, In; Q = S, Se): A Series of Metal Chalcogenides with a Structural Transition.

A series of metal chalcogenides, LiBaMQ (M = Al, Ga, In; Q = S, Se), have been successfully obtained by the sealed-tube method. LiBaMQ undergoes a special structural transformation from the 2/ (LiBaAlQ and LiBaGaS) to the 2/ (LiBaInQ) space group, which leads to disparities in electronic states, birefringence, and band gaps. Their structures feature the same zigzag [LiMQ] layers consisting of corner-shared LiQ and MQ tetrahedra.