Crystal shape calculations of NLO organic materials

Proceedings of SPIE - The International Society for Optical Engineering

Volumn 3123, Issue , 1997, Pages 159-163

  Timofeeva, Tatiana V ^a   Shil'nikov, V I ^a   Clark, Ronald D ^a  

^a NEW MEXICO HIGHLANDS UNIVERSITY   (United States)

Author keywords

Crystal shape calculations; DIVA; NLO compounds

Indexed keywords

ATOMIC PHYSICS; EXTRACTIVE METALLURGY; GRAVITATION; GRAVITATIONAL EFFECTS; MATERIALS SCIENCE; MOLECULAR CRYSTALS;

CRYSTAL FACES; CRYSTAL SHAPE CALCULATIONS; DIVA; HYPER-POLARIZABILITY; NLO COMPOUNDS; POTENTIAL METHODS; RELATIVE RATES; SECOND-ORDER NONLINEAR OPTICAL (NLO) PROPERTIES;

CRYSTAL STRUCTURE;

EID: 0006025965     PISSN: 0277786X     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1117/12.277718     Document Type: Conference Paper

References (13)

1. P.Hartman, P. Bonnema., J. Cryst. Growth, 49, pp.157-165, 1980.
2. A.I. Kitaigorodsky, Molecular Crystals and Molecules, Academic Press, New York, 1973.
3. A.J. Pertsin, A.I.Kitaigorodsky, Atom-Atom potential Method. Application to Organic Molecular Solids, Springer Verlag, Berlin - Heidelberg - New York - London - Paris - Tokyo, 1987.
4. Z. Berkovitch-Yellin, "Towards an ab Initio Derivation of Crystal Morphology", J. Amer. Chem. Soc., 107, pp.8239-8253, 1985.
5. G. Clydesdale, K. J. Roberts, R. Docherty, "HABIT-95 - A Program for Predicting the Morphology of Molecular Crystals as a Function of the Crystal Environment", J. Cryst. Growth, 166, pp.78-83, 1996.
6. V.I.Shil'nikov, "Program package for crystal chemical calculations NONVPOT", Kristallografia, 39, pp.647-655, 1994.
7. J.Zyss, J.L.Oudar, "Relations Between Microscopic and Macroscopic Lowest-order Optical Nonlinearities of Molecular Crystals with One- or Two-dimensional Units", Phys. Rev. A, 26, pp.2028-2048, 1982.
8. A.Fkeyrat, A.Guelzim, F.Baert, W.Paulus, G.Heger, J.Zyss, A.Perguad, "Electron Density Study by X-ray and Neutron Diffraction of an NLO Compound: N-(4-Nitrophenil)-L-prolinol. Description of Quadratic Hyperpolarizability", Acta Cristallogr., B51, pp.197-209, 1995.
9. S.Yamada, Y.Matsuoka, T.Wada, C.H.Grossman, M.Hara, H.Sasabe, "Novel Nonlinear Optically Active Substances for Molecular Optoelectronics", IEEE, 10 Annual International Conference, 1988.
10. T.Wada, G.H.Grossman, S.Yamada, A.Yamada, A.F.Garito, H.Sasabe, "Quadratic nonlinear optical properties of DIVA crystals", Mat. Res. Soc. Symp. Proc., 173, pp.519-523, 1990.
11. M.Takada, T.Wada, H.Sasabe, "Novel Molecular Design for Enhanced Second-order Nonlinear Optical Response with Wide Transparency: Cyanovinyl Aromatics", Mol. Cryst. Liq. Cryst. 255, pp.113-119, 1994.
12. M.Yu.Antipin, T.A.Barr, B.Cardelino, R.D.Clark, C.E.Moore, T.Myers, B.Penn, M.Romero, M.Sangadasa, T.V.Timofeeva, "X-ray Crystal Structures, Molecular Mechanics Calculations and Calculations of the Nonlinear Polarizabilities (β and γ) of Dicyanovinylbenzene and its Methoxy Derivatives, and Comparison with Experimental Values of β", J. Phys. Chem. B, 101, pp.2770-2181, 1997.
13. D.E.Williams, S.R.Cox, Acta Crystallogr., B40, pp.404-412, 1984.