Electronic, Optical, and Vibrational Properties of an AgAlS Crystal in a High-Pressure Phase.

The aim of this study is to comprehensively examine the structural composition and properties of the AgAlS crystal during its high-pressure phase. This analysis delves into the second coordination environment of the crystal structure and elucidates the distinct transformations it undergoes during the phase transition. The band energy structure was calculated, and the origin of electronic levels was clarified.

Electronic structure and optical properties of the AgSbS crystal: experimental and DFT studies.

A high-quality AgSbS single crystal was grown by the Bridgman-Stockbarger method and its crystalline structure and homogeneity were investigated. The fundamental absorption edge of AgSbS was studied. The value of the band gap of the studied compound was obtained at the level of 1.

Small isomeric push-pull chromophores based on thienothiophenes with tunable optical (non)linearities.

Fourteen new D-π-A push-pull chromophores based on two isomeric thienothiophene donors and seven acceptors of various electronic natures have been designed and conveniently synthesized. In contrast to known thienothiophene push-pull molecules, the prepared small chromophores proved to be organic materials with easily tunable thermal, electrochemical and (non)linear optical properties. It has also been shown that small structural variation may result in significantly improved/varied fundamental properties.