Mechanism of linear and nonlinear optical properties of the urea crystal family

Journal of Physical Chemistry A

Volumn 115, Issue 20, 2011, Pages 5192-5200

  Luo, Shi Jun ^a   Yang, Jun Tao ^a   Du, Wen Feng ^a   Laref, Amel ^a  

^a HUBEI UNIVERSITY OF AUTOMOTIVE TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL CONFIGURATION; DIELECTRIC CONSTANTS; DIELECTRIC FUNCTIONS; DIMETHYLUREA; ELECTRON-ACCEPTING; ELECTRON-DONATING; EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATION; LOCAL SYMMETRY; NLO PROPERTIES; NONLINEAR OPTICAL PROPERTIES; OPTICAL RESPONSE FUNCTIONS; OPTICAL SPECTRA; PROJECTED AUGMENTED WAVES; SECOND ORDERS; SUBSTITUTIONAL GROUPS; UREA CRYSTALS; WIDE FREQUENCY RANGE;

CALCULATIONS; CHARGE TRANSFER; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; HYDROGEN; HYDROGEN BONDS; ION EXCHANGE; METABOLISM; NONLINEAR OPTICS; PHOTONS; UREA;

OPTICAL PROPERTIES;

EID: 79959326694     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp200164s     Document Type: Article

References (38)

1. Halbout, J. M.; Tang, C. L. In Nonlinear Optical Properties of Organic Molecules and Crystals; Chemla, D. S., Zyss, J., Eds.; Academic: New York, 1987; p 385.
2. Catella, G. C.; Bohn, J. H.; Luken, J. R. IEEE J. Quantum Electron. 1988, QE-24, 1201.
3. Huang, B.; Su, G.; He, Y. J. Cryst. Growth 1990, 102, 762.
4. Morrell, J. A.; Albrecht, A. C.; Levin, K. H.; Tang, C. L. J. Chem. Phys. 1979, 71, 5063.
5. Svendens, E. N.; Willand, C. S.; Albrecht, A. C. J. Chem. Phys. 1985, 83, 5760.
6. Levine, Z. H.; Allan, D. C. Phys. Rev. B. 1993, 48, 7783.
7. Lin, Z. S.; Wang, Z. Z.; Chen, C. T. J. Chem. Phys. 2003, 118, 2349.
8. Reis, H.; Papadopoulos, M. G.; Munn, R. W. J. Chem. Phys. 1998, 109, 6828.
9. Olejniczak, M.; Pecul, M.; Champagne, B.; Botek, E. J. Chem. Phys. 2008, 128, 244713.
10. Hermet, P.; Ghoseza, P. Phys. Chem. Chem. Phys. 2010, 12, 83.
11. Ferrero, M.; Civalleri, B.; Rérat, M.; Orlando, R.; Dovesi, R. J. Chem. Phys. 2009, 131, 214704.
12. Zyss, J.; Berthier, G. J. Chem. Phys. 1982, 77, 3635.
13. Halbout, J. M.; Sarhangi, A.; Tang, C. L. Appl. Phys. Lett. 1980, 37, 864.
14. Romani, S.; Razzetti, C.; Zha, M.; Paorici, C. Phys. Status Solidi B 1996, 197, 271.
15. Marsh, R. E. Acta Crystallogr., Sect. B: Struct. Sci. 2004, 60, 252.
16. Martins, D. M. S.; Spanswick, C. K.; Middlemiss, D. S.; Abbas, N.; Pulham, C. R.; Morrison, C. A. J. Phys. Chem. A 2009, 113, 5998.
17. Pérez-Folch, J.; Subirana, J. A.; Aymami, J. J. Chem. Cryst. 1997, 27, 367.
18. Zeng, L.; Zha, M.; Zanotti, L.; Razzetti, C.; Paorici, C. J. Cryst. Growth 1995, 147, 74.
19. Zha, M.; Ardoino, M.; Zuccalli, G.; Zanotti, L.; Paorici, C.; Razzetti, C. Synth. Met. 1996, 83, 209.
20. Champagne, B.; Bishop, D. M. Adv. Chem. Phys. 2003, 126, 41.
21. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953.
22. Luo, S. J.; Du, W. F.; Wang, H. Z. J. Chem. Phys. 2008, 129, 094705.
23. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, R558.
24. Kresse, G.; Hafner, J. Phys. Rev. B, 1994, 49, 14251.
25. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15.
26. Guth, H.; Heger, G.; Klein, S.; Treutmann, W.; Scheringer, C. Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 1978, 34, 1624.
27. Huiszoon, C.; Tiemessen, G. W. M. Acta Crystallogr., Sect. B 1976, 32, 1604.
28. Li, J.; Duan, C. G.; Gu, Z. Q.; Wang, D. S. Phys. Rev. B 1998, 57, 2222.
29. Adolph, B.; Furthmüller, J.; Bechstedt, F. Phys. Rev. B 2001, 63, 125108.
30. Ghahramani, Ed.; Moss, D. J.; Sipe, J. E. Phys. Rev. Lett. 1990, 64, 2815.
31. Ghahramani, Ed.; Moss, D. J.; Sipe, J. E. Phys. Rev. B 1991, 43, 8990.
32. Duan, C. G.; Li, J.; Gu, Z. Q.; Wang., D. S. Phys. Rev. B 1999, 60, 9435.
33. Hughes, J. L. P.; Sipe, J. E. Phys. Rev. B 1996, 53, 10751.
34. Halbout, J. M.; Blit, S.; Donaldson, W.; Tang, C. L. IEEE J. Quantum Electron. 1979, QE-15, 1176.
35. Reshak, A. H.; Stys, D.; Auluck, S.; Kityk, I. V. J. Phys. Chem. B 2010, 114 (5), 1815.
36. Cole, J. M.; Goeta, A. E.; Howard, J. A. K.; McIntyre, G. J. Acta Crystallogr. 2002, B58, 690.
37. Sarma, J. A. R. P.; Allen, F. H.; Hoy, V. J.; Howard, J. A. K.; Thaimattam, R.; Biradha, K.; Desiraju, G. R. J. Chem. Soc., Chem. Commun. 1997, 101-102.
38. Cole, J. M. Philos. Trans. R. Soc. London, A 2003, 361, 2751.