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Title: On the combined experimental and theoretical investigations on 3-nitrophenylamine for nonlinear optical applications

Single crystal of 3-Nitrophenylamine (3-NPA) was grown using methanol as solvent by slow evaporation technique. The cell parameters and crystal structure was elucidated by single crystal X-ray diffraction analysis. The laser damage threshold of the title compound was measured using Nd:YAG laser. The second harmonic generation (SHG) nonlinearity was measured using Kurtz-Perry powder technique. The optimized geometry, dipole moment, polarizability and first order hyperpolarizability were obtained by density functional theory (DFT) using 6-31++G (d, p) basis set.
Authors:
;  [1]
  1. MRDL, PG & Research Department of Physics, Pachaiyappa’s College, Chennai – 600030 (India)
Publication Date:
OSTI Identifier:
22490477
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANILINE; CRYSTAL GROWTH; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL METHOD; DIPOLE MOMENTS; EVAPORATION; HARMONIC GENERATION; IRRADIATION; LASER RADIATION; METHANOL; MONOCRYSTALS; NEODYMIUM LASERS; NONLINEAR PROBLEMS; ORGANIC NITROGEN COMPOUNDS; POLARIZABILITY; POWDERS; X-RAY DIFFRACTION