Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response

ACS Photonics

Volumn 1, Issue 2, 2014, Pages 96-100

  Cammarata, Antonio ^a   Rondinelli, James M ^a  

^a Drexel University   (United States)

Author keywords

borates; group theory; non linear optics; second harmonic generation

Indexed keywords

CALCULATIONS; CRYSTAL ATOMIC STRUCTURE; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; GROUP THEORY; HARMONIC ANALYSIS; MATHEMATICAL TRANSFORMATIONS; NONLINEAR OPTICS;

AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; ATOMIC DISPLACEMENT; BORATES; DISPLACEMENT PATTERNS; IRREDUCIBLE REPRESENTATIONS; LINEAR COMBINATIONS; NONLINEAR OPTICAL CRYSTAL; PARENT STRUCTURE;

HARMONIC GENERATION;

EID: 84902451615     PISSN: None     EISSN: 23304022     Source Type: Journal    
DOI: 10.1021/ph400049h     Document Type: Article

References (38)

1. Savage, N. Nonlinear crystals Nat. Photonics 2008, 2, 380 - 381
2. Guyot-Sionnest, P.; Tadjeddine, A.; Liebsch, A. Electronic distribution and nonlinear optical response at the metal-electrolyte interface Phys. Rev. Lett. 1990, 64, 1678 - 1681
3. Steen, W.; Mazumder, J. Laser Material Processing, 4 th ed.; Springer: London, 2010.
4. Kissick, D. J.; Wanapun, D.; Simpson, G. J. Second-order nonlinear optical imaging of chiral crystals Annu. Rev. Anal. Chem. 2011, 4, 419 - 437
5. Byer, R. L. Nonlinear optical phenomena and materials Annu. Rev. Mater. Sci. 1974, 4, 147 - 190
6. Boyd, R. W. Nonlinear Opt., 3 rd ed.; Academic Press: San Diego, CA, U.S.A., 2008.
7. Bordui, P. F.; Fejer, M. M. Inorganic crystals for nonlinear optical frequency conversion Annu. Rev. Mater. Sci. 1993, 23, 321 - 379
8. Cyranoski, D. China's crystal cache Nature 2009, 457, 953 - 955
9. Chen, C. A localized quantal theoretical treatment, based on an anionic coordination polyhedron model, for EO and SHG effects in crystals of the mixed-oxide type Acta Sci. Sin. 1979, 22, 756 - 776
10. Ye, N.; Chen, Q.; Wu, Q.; Chen, C. Searching for new nonlinear optical materials on the basis of the anionic group theory J. Appl. Phys. 1998, 55, 555 - 558
11. Song, J.-H.; Freeman, A. J.; Bera, T. K.; Chung, I.; Kanatzidis, M. G. First-principles prediction of an enhanced optical second-harmonic susceptibility of low-dimensional alkali-metal chalcogenides Phys. Rev. B 2009, 79, 245203
12. Duan, C.-G.; Li, J.; Gu, Z.-Q.; Wang, D.-S. Interpretation of the nonlinear optical susceptibility of borate crystals from first principles Phys. Rev. B 1999, 59, 369 - 372
13. 4 crystals Phys. Rev. B 1999, 60, 13380 - 13389
14. 3F: a systematical first-principles study J. Appl. Phys. 2011, 23, 395501 - 395508
15. 3) (A = Li, Rb and Cs) crystals J. Phys.: Condens. Matter 2010, 22, 155801
16. Wu, H.; Yu, H.; Yang, Z.; Hou, X.; Su, X.; Pan, S.; Poeppelmeier, K. R.; Rondinelli, J. M. Designing a deep-ultraviolet nonlinear optical material with a large second harmonic generation response J. Am. Chem. Soc. 2013, 135, 4215 - 4218
17. Abrahams, S. C.; Kurtz, S. K.; Jamieson, P. B. Atomic displacement relationship to curie temperature and spontaneous polarization in displacive ferroelectrics Phys. Rev. 1968, 172, 551 - 553
18. 4 crystals Phys. Rev. B 1999, 60, 13380 - 13389
19. Eimerl, D.; Davis, L.; Velsko, S.; Graham, E. K.; Zalkin, A. Optical, mechanical, and thermal properties of barium borate J. Appl. Phys. 1987, 62, 1968 - 1983
20. Nikogosyan, D. N. Beta barium borate (BBO) Appl. Phys. A: Mater. Sci. Process. 1991, 52, 359 - 368
21. Perez-Mato, J. M.; Orobengoa, D.; Aroyo, M. I. Mode crystallography of distorted structures Acta Crystallogr., Sect. A 2010, 66, 558 - 590
22. Stokes, H. T.; Campbell, B. J.; Cordes, R. Tabulation of irreducible representations of the crystallographic space groups and their superspace extensions Acta Crystallogr., Sect. A 2013, 69, 388 - 395
23. Gautier, R.; Norquist, A. J.; Poeppelmeier, K. R. From Racemic Units to Polar Materials Cryst. Growth Des. 2012, 12, 6267 - 6271
24. Lines, E.; Glass, A. Principles and applications of ferroelectrics and related materials. International Series of Monographs on Physics; Oxford University Press: New York, 1977.
25. Ceperley, D. M.; Alder, B. J. Ground state of the electron gas by a stochastic method Phys. Rev. Lett. 1980, 45, 566 - 569
26. Gonze, X.; et al. ABINIT: First-principles approach to material and nanosystem properties Comput. Phys. Commun. 2009, 180, 2582 - 2615
27. Gonze, X. First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm Phys. Rev. B 1997, 55, 10337 - 10354
28. Gonze, X.; Lee, C. Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory Phys. Rev. B 1997, 55, 10355 - 10368
29. Veithen, M.; Gonze, X.; Ghosez, P. Nonlinear optical susceptibilities, Raman efficiencies, and electro-optic tensors from first-principles density functional perturbation theory Phys. Rev. B 2005, 71, 125107
30. Orobengoa, D.; Capillas, C.; Aroyo, M. I.; Perez-Mato, J. M. AMPLIMODES: symmetry-mode analysis on the Bilbao Crystallographic Server J. Appl. Crystallogr. 2009, 42, 820 - 833
31. Klein, R.; Kugel, G.; Maillard, A.; Sifi, A.; Polgr, K. Absolute non-linear optical coefficients measurements of BBO single crystal and determination of angular acceptance by second harmonic generation Opt. Mater. 2003, 22, 163 - 169
32. 3, and KTP measured by phase-matched second-harmonic generation IEEE J. Quant. Electr. 1990, 26, 922 - 933
33. 4 for visible to ultraviolet second-harmonic wavelengths J. Opt. Soc. Am. B 1999, 16, 620 - 624
34. Boulanger, B.; Zyss, J. In International Tables for Crystallography: Physical Properties of Crystals; Authier, A., Ed.; International Union of Crystallography: England, 2006; Vol. D, pp 176 - 216
35. 4 under high pressure J. Phys. Chem. Solids 1988, 49, 519 - 527
36. 4) thin films by opposed-targets magnetron sputtering J. Vac. Sci. Technol., A 1996, 14, 2651 - 2654
37. 4) thin films grown by metalorganic chemical vapor deposition Appl. Phys. Lett. 1997, 70, 565 - 567
38. Momma, K.; Izumi, F. VESTA: a three-dimensional visualization system for electronic and structural analysis J. Appl. Crystallogr. 2008, 41, 653 - 658