[en] We first present a method to compute the electro-optic tensor from first principles, explicitly taking into account the electronic, ionic and piezoelectric contributions. We then study the nonlinear optic behavior of three paradigmatic ferroelectric oxides. Our calculations reveal the dominant contribution of the soft mode to the electro-optic coefficients in LiNbO3 and BaTiO3 and its minor role in PbTiO3. We identify the coupling between the electric field and the polar atomic displacements along the B-O chains as the origin of the large electro-optic response in perovskite ABO(3) compounds.
Disciplines :
Physics
Author, co-author :
Veithen, M.
Gonze, X.
Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Language :
English
Title :
First-principles study of the electro-optic effect in ferroelectric oxides
Publication date :
2004
Journal title :
Physical Review Letters
ISSN :
0031-9007
eISSN :
1079-7114
Publisher :
American Physical Society, Ridge, United States - New York
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Bibliography
M. E. Lines and A. M. Glass, Principles and Applications of Ferroelectrics and Related Materials (Clarendon Press, Oxford 1977).
L. Woolen et al., IEEE J. Sel. Top. Quantum Electron. 6, 69 (2000).
A. Petraru, J. Schubert, M. Schmid, and Ch. Buchal, Appl. Phys. Lett. 81, 1375 (2002).
K. Buse, A. Adibi, and D. Psalti, Nature (London) 393, 665 (1998).
H. Chaib, A. Toumanari, D. Khatib and W. Kinase, Ferroelectrics 234, 61 (1999).
B.F. Levine, Phys. Rev. B 7, 2600 (1973).
C.- C. Shih and A. Yariv, J. Phys. C 15, 825 (1982).
R.W. Nunes and X. Gonze, Phys. Rev. B 63, 155107 (2001).
I. Souza, J. Íñiguez, and D. Vanderbilt, Phys. Rev. Lett. 89, 117602 (2002).
A. Dal Corso, F. Mauri, and A. Rubio, Phys. Rev. B 53, 15638 (1996); G. Deinzer and D. Strauch, Phys. Rev. B 66, 100301 (2002).
A. Dal Corso, F. Mauri, and A. Rubio, Phys. Rev. B 53, 15638 (1996); G. Deinzer and D. Strauch, Phys. Rev. B 66, 100301 (2002).
M. Lazzeri and F. Mauri, Phys. Rev. Lett. 90, 036401 (2003).
X. Gonze and C. Lee, Phys. Rev. B 55, 10355 (1997).
M. Veithen, Ph. Ghosez, and X. Gonze (unpublished).
M. Zgonik et al., Phys. Rev. B 50, 5941 (1994).
W.D. Johnston, Jr., Phys. Rev. B 1, 3494 (1970).
X. Gonze et al., Comput. Mater. Sci. 25, 478 (2002).
M. P. Teter, Phys. Rev. B 48, 5031 (1993).
M. Veithen and Ph. Ghosez, Phys. Rev. B 65, 214302 (2002).
K. F. Hulme, P. H. Davies and V. M. Cound, J. Phys. C 2, 855 (1969).
A. Räuber, Current Topics in Materials Science, edited by E. Kaldis (North-Holland, Amsterdam, 1978), Vol. 1, p. 481.
F. Abdi, M. Aillerie, P. Bourson, M. D. Fontana, and K. Polgar, J. Appl. Phys. 84, 2251 (1998).
It is usual to define an effective EO coefficient rc = r 33 (n0/ne)3r13 where n0 and ne are the ordinary and extraordinary refractive indices. The theoretical values of (n0,ne,r cn) are: LiNbO3 (2.37,2.35,17.0), BaTiO 3 (2.55,2.42,11.9), PbTiO3 (2.70,2.61, -4.1). The experimental values are: LiNbO3 (2.28,2.19,21.2), BaTiO3 (2.41, 2.36,29.7), PbTiO3 (2.67,2.66, -8.0).
M. Aillerie et al., J. Appl. Phys. 65, 2406 (1989).
Reduced coordinates of P4mm BaTiO3 and PbTiO3: Ba/Pb (0,0,0), Ti (0.5,0.5,0.5 + δTi), O1 (0.5,0.5,0 + δOδ1), O2 (0.5,0,0.5 + δOδ2), and O3 (0,0.5,0.5 + δOδ2). Relaxation at experimental lattice constants yields for BaTiO3 (PbTiO3): δTi = 0.0136 (-0.0478), δOδ1, = -0.0273 (-0.1205), δOδ2 = -0.0167 (- 0.1278).
CRC Handbook of Laser Science and Technology, Optical Materials: Part 2 Vol. IV, edited by M. J.Weber (Chemical Rubber Company, Boca Raton, FL, 1986).
S. H. Wemple and D. DiDomenico, Jr., in Applied Solid State Science, edited by R. Wolfe (Academic, New York, 1972).
M. D. Fontana, F. Abdi, and K. Wojcik, J. Appl. Phys. 77, 2102 (1995).
M. D. Fontana, H. Idrissi, G. E. Kugel, and K. Wojcik, J. Phys. Condens. Matter 3, 8695 (1991).
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