Photoluminescence, Impedance, Thermal Characteristics and Hirshfeld Surface Analysis of Potassium Bisulphate Single Crystals for Third Order NLO Applications

Abstract

Good quality potassium bisulphate (KHS) single crystals have been grown by slow evaporation method at room temperature. The KHS crystal was found to be crystallizing in orthorhombic crystal structure with Pbca space group. The photoluminescence behaviour of the crystal was analysed in the visible region. This study disclosed that the grown KHS crystal has intense blue emission peak at 490 nm. Impedance analysis was performed to investigate the frequency dependent electrical characteristics at various temperatures. From the impedance studies the bulk resistance, grain boundary resistance and DC conductivity values of the grown crystal were found out. The KHS crystal was subjected to TGA/DTA and the results have been investigated. The electrical parameters like Fermi energy and average energy gap of KHS crystal have been determined. The evaluated values are used to estimate the electronic polarizability. The intermolecular interactions were predicted using Hirshfeld surface analysis. This analysis exhibited that the utmost contribution to the crystal structure was the K⋯O (46.7%) interaction. The 2D fingerprint plot provides the percentage contribution of each atom-to-atom interaction. Since KHS material is a centrosymmetric crystal, it could be used for third order nonlinear optical (NLO) applications.

Growth, Surface Morphology and Mechanical Properties of Potassium Hydrogen Sulphate Single Crystals for Antimicrobial and Third-Order NLO Applications

“…Some researchers have already investigated the structure of the KHS single crystal [3]. Also, we have systematically investigated the photoluminescence, impedance, thermal, and linear optical characteristics in our previous work [4,5]. It is noteworthy that to date no attempt has been made to investigate the nonlinear optical and surface characteristics of KHS crystals.…”