The primary goal of this review is to present a clear chemical perspective of borates in order
to stimulate and facilitate the discovery of new borate-based optical materials. These …

As early as 2001, the need for the 'functional motif theory'was pointed out, to assist the
rational design of functional materials. The properties of materials are determined by their …

Non π-conjugated tetrahedral groups have emerged as potential basic modules for
developing ultraviolet (UV) nonlinear optical materials. However, their intrinsic weak …

Chalcogenides are the most promising candidates for nonlinear optical (NLO) applications
in the middle infrared region due to their high nonlinear coefficients and wide IR …

Highly polarizable mixed-anion structural building units (SBUs) have been demonstrated as
promising candidates for high-performing optical crystals. In this work, two new mixed-anion …

Oxychalcogenides are promising candidates for the design of IR nonlinear optical materials.
Here, we prepared the first oxysulfide in the polar Fresnoite mineral type, Ba2SnSSi2O7 …

Second-harmonic generation (SHG) is a kind of nonlinear optical phenomenon which has
been widely used in optical devices, and factors influencing its signal are very complex …

Compounds of diamond-like (DL) structures are one of the important systems in searching
for new high-performance infrared nonlinear optical (IR NLO) materials. However, the phase …

The mixing of organic cations represents yet another direction to explore in the field of chiral
organic-inorganic hybrid metal halides (OIHMH). Here, we perform structural optimizations …

The second harmonic generation (SHG) responses of the paraelectric and ferroelectric
phases of KH2PO4 (KDP) were calculated by first-principles density functional theory (DFT) …