A first-principles study of linear and nonlinear optical properties of 4-nitro-4′ -methylbenzylidene aniline

Journal of Chemical Physics

Volumn 129, Issue 9, 2008, Pages

  Luo, S J ^a   Du, W F ^a,b   Wang, H Z ^b  

^a HUBEI UNIVERSITY OF AUTOMOTIVE TECHNOLOGY   (China)

^b WUHAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANILINE; CHARGE TRANSFER; ELECTROMAGNETIC WAVES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HARMONIC GENERATION; ION EXCHANGE; NEGATIVE IONS; NONLINEAR OPTICS; OPTICAL MATERIALS; OPTICAL PROPERTIES; PHOTONS; POTASSIUM COMPOUNDS; REFRACTIVE INDEX; SOLID STATE PHYSICS;

DIELECTRIC FUNCTIONS; FIRST-PRINCIPLES CALCULATIONS; OPTICAL RESPONSE FUNCTIONS;

FREQUENCY RESPONSE;

4 NITRO 4' METHYLBENZYLIDENE ANILINE; 4-NITRO-4'-METHYLBENZYLIDENE ANILINE; ANILINE DERIVATIVE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTROCHEMISTRY; ELECTRON; ENERGY TRANSFER; LIGHT RELATED PHENOMENA; STATISTICAL MODEL;

ALGORITHMS; ANILINE COMPOUNDS; COMPUTER SIMULATION; ELECTROCHEMISTRY; ELECTRONS; ENERGY TRANSFER; LINEAR MODELS; MODELS, CHEMICAL; OPTICAL PROCESSES;

EID: 51349083122     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2971191     Document Type: Article

References (19)

1. M. M. Fejer, Phys. Today 47 (5), 25 (1994). 0031-9228
2. Molecular Nonlinear Optics: Materials, Physics and Devices, edited by, J. Zyss, (Academic, San Diego, 1994), p. 129.
3. D. M. Burland, Chem. Rev. (Washington, D.C.) 0009-2665 10.1021/cr00025a600 94, 1 (1994).
4. O. P. Kwon, S. J. Kwon, M. Jazbinsek, A. Choubey, V. Gramlich, and P. Günter, Adv. Funct. Mater. 1616-301X 10.1002/adfm.200600494 17, 1750 (2007).
5. D. S. Chcmla and J. Zyss, Nonlinear Optical Properties of Organic Molecules and Crystals (Academic, Orlando, 1987), Vol. 1.
6. N. Long, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.199500211 34, 21 (1995).
7. D. S. Chemla, in Nonlinear Optical Properties of Organic Molecules and Crystals, edited by, J. Zyss, (Academic, New York, 1987), Vol. 1.
8. J. Ramajothi, S. Dhanuskodi, and M. Akkurt, Spectrochim. Acta, Part A 69, 1271 (2008).
9. J. M. Cole, J. A. K. Howard, and G. J. Mclutyre, Acta Crystallogr., Sect. B: Struct. Sci. 57, 410 (2001). 0108-7681
10. K. Srinivasan, R. Gandhimathi, R. Biravaganesh, and P. Ramasamy, Mater. Sci. Eng., B 84, 237 (2001) 0921-5107; K. Srinivasan, R. Gandhimathi, R. Biravaganesh, and P. Ramasamy, J. Cryst. Growth 236, 381 (2002). 0022-0248
11. R. T. Bailey, G. Bourhill, F. R. Cruickshank, D. Pug, J. N. Sherwood, and G. S. Simpson, J. Appl. Phys. 73-74, 1591 (1993). 0021-8979
12. P. E. Blöchl, Phys. Rev. B 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994); G. Kresse and D. Joubeit, Phys. Rev. B 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
13. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 0163-1829 10.1103/PhysRevB.13.5188 13, 5188 (1976).
14. J. Li, C. G. Duan, Z. Q. Gu, and D. S. Wang, Phys. Rev. B 0163-1829 10.1103/PhysRevB.57.2222 57, 2222 (1998).
15. B. Adolph, J. Furthmuller, and F. Bechstedt, Phys. Rev. B 0163-1829 10.1103/PhysRevB.63.125108 63, 125108 (2001).
16. E. Ghahramani, D. J. Moss, and J. E. Sipe, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.64.2815 64, 2815 (1990); E. Ghahramani, D. J. Moss, and J. E. Sipe, Phys. Rev. B 0163-1829 10.1103/PhysRevB.43.8990 43, 8990 (1991).
17. C. G. Duan, J. Li, Z. Q. Gu, and D. S. Wang, Phys. Rev. B 0163-1829 10.1103/PhysRevB.60.9435 60, 9435 (1999); C. G. Duan, J. Li, Z. Q. Gu, and D. S. Wang, Phys. Rev. B 0163-1829 10.1103/PhysRevB.59.369 59, 369 (1999).
18. J. L. P. Hughes and J. E. Sipe, Phys. Rev. B 0163-1829 10.1103/PhysRevB.53.10751 53, 10751 (1996).
19. D. E. Aspnes, Phys. Rev. B 0163-1829 10.1103/PhysRevB.6.4648 6, 4648 (1972).