The book "Nonlinear Optical Single Crystal Investigations using DFT Calculations" authored by S. Arulmani
presents an in-depth analysis of the experimental investigations and density functional theory (DFT) calculations
on various nonlinear optical (NLO) single crystals such as LaHSQ, LGHSQ, La5N, and LGY5N.
The book provides a comprehensive understanding of the structure-property relationship of these NLO materials
using various characterization techniques such as single-crystal X-ray diffraction, Fourier transform infrared
spectroscopy, and UV-Vis-NIR spectroscopy. The author also describes the synthesis of these materials through
different methods such as slow evaporation and solution growth techniques.
The main focus of the book is on the DFT calculations, which have been used to study the electronic structure
and the nonlinear optical properties of these materials. The author explains the theoretical concepts and the
mathematical models used for the calculations, making it easy for readers to understand the principles behind
the DFT calculations.
Overall, "Nonlinear Optical Single Crystal Investigations using DFT Calculations" is an excellent resource for
researchers, students, and professionals working in the field of materials science, chemistry, and physics.
It provides valuable insights into the synthesis, characterization, and theoretical calculations of NLO single
crystals, making it a must-read for anyone interested in this area of research.
