Abstract

Based on density functional theory with the generalized gradient approximation plus on-site Coulomb repulsion method, we study the magnetic-ordering dependence of second-harmonic generation (SHG) in a polar magnet BiCoO3. The large second-order optical susceptibility, which can reach 3.7×107esu, exhibits a strong magnetic-ordering dependence, giving rise to magnetic-field controllable SHG response in polar magnets.

© 2009 Optical Society of America

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  1. P. S. Halasyamani and K. R. Poppelmeier, Chem. Mater. 10, 2753 (1998).
    [CrossRef]
  2. S. Ju and G. Y. Guo, J. Chem. Phys. 129, 194704 (2008).
    [CrossRef] [PubMed]
  3. D. Sa, R. Valenti, and C. Gros, Eur. Phys. J. B 14, 301 (2000).
    [CrossRef]
  4. M. Fiebig, V. V. Pavlov, and R. V. Pisarev, J. Opt. Soc. Am. B 22, 96 (2005).
    [CrossRef]
  5. Y. Shimada, M. Matsubara, Y. Kaneko, J. P. He, and Y. Tokura, Appl. Phys. Lett. 89, 101112 (2006).
    [CrossRef]
  6. E. Hanamura and Y. Tanabe, Phase Transitions 79, 957 (2006).
    [CrossRef]
  7. Y. Tokura, J. Magn. Magn. Mater. 310, 1145 (2007).
    [CrossRef]
  8. A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
    [CrossRef]
  9. Y. Uratani, T. Shishidou, F. Ishii, and T. Oguchi, Jpn. J. Appl. Phys. Part 1 44, 7130 (2005).
    [CrossRef]
  10. P. E. Blochl, Phys. Rev. B 50, 17953 (1994).
    [CrossRef]
  11. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
    [CrossRef]
  12. G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
    [CrossRef]
  13. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
    [CrossRef]
  14. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
    [CrossRef]
  15. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998).
    [CrossRef]
  16. J. Goodenough, Phys. Rev. 100, 564 (1955).
    [CrossRef]
  17. P. E. Blochl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).
    [CrossRef]
  18. G. Y. Guo, K. C. Chu, D. S. Wang, and C. G. Duan, Phys. Rev. B 69, 205416 (2004).
    [CrossRef]
  19. G. Y. Guo and J. C. Lin, Phys. Rev. B 71, 165402 (2005).
    [CrossRef]
  20. G. Y. Guo and J. C. Lin, Phys. Rev. B 72, 075416 (2005).
    [CrossRef]
  21. D. E. Aspnes, Phys. Rev. B 6, 4648 (1972).
    [CrossRef]
  22. R. W. Boyd, Nonlinear Optics (Elsevier, 2003).
  23. C. Z. Fan and J. P. Huang, Appl. Phys. Lett. 89, 141906 (2006).
    [CrossRef]

2008 (1)

S. Ju and G. Y. Guo, J. Chem. Phys. 129, 194704 (2008).
[CrossRef] [PubMed]

2007 (1)

Y. Tokura, J. Magn. Magn. Mater. 310, 1145 (2007).
[CrossRef]

2006 (4)

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Y. Shimada, M. Matsubara, Y. Kaneko, J. P. He, and Y. Tokura, Appl. Phys. Lett. 89, 101112 (2006).
[CrossRef]

E. Hanamura and Y. Tanabe, Phase Transitions 79, 957 (2006).
[CrossRef]

C. Z. Fan and J. P. Huang, Appl. Phys. Lett. 89, 141906 (2006).
[CrossRef]

2005 (4)

G. Y. Guo and J. C. Lin, Phys. Rev. B 71, 165402 (2005).
[CrossRef]

G. Y. Guo and J. C. Lin, Phys. Rev. B 72, 075416 (2005).
[CrossRef]

Y. Uratani, T. Shishidou, F. Ishii, and T. Oguchi, Jpn. J. Appl. Phys. Part 1 44, 7130 (2005).
[CrossRef]

M. Fiebig, V. V. Pavlov, and R. V. Pisarev, J. Opt. Soc. Am. B 22, 96 (2005).
[CrossRef]

2004 (1)

G. Y. Guo, K. C. Chu, D. S. Wang, and C. G. Duan, Phys. Rev. B 69, 205416 (2004).
[CrossRef]

2000 (1)

D. Sa, R. Valenti, and C. Gros, Eur. Phys. J. B 14, 301 (2000).
[CrossRef]

1999 (1)

G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
[CrossRef]

1998 (2)

S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998).
[CrossRef]

P. S. Halasyamani and K. R. Poppelmeier, Chem. Mater. 10, 2753 (1998).
[CrossRef]

1996 (1)

G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
[CrossRef]

1994 (3)

G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
[CrossRef]

P. E. Blochl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).
[CrossRef]

P. E. Blochl, Phys. Rev. B 50, 17953 (1994).
[CrossRef]

1993 (1)

G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
[CrossRef]

1972 (1)

D. E. Aspnes, Phys. Rev. B 6, 4648 (1972).
[CrossRef]

1955 (1)

J. Goodenough, Phys. Rev. 100, 564 (1955).
[CrossRef]

Andersen, O. K.

P. E. Blochl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).
[CrossRef]

Aspnes, D. E.

D. E. Aspnes, Phys. Rev. B 6, 4648 (1972).
[CrossRef]

Azuma, M.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Belik, A. A.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Blochl, P. E.

P. E. Blochl, Phys. Rev. B 50, 17953 (1994).
[CrossRef]

P. E. Blochl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).
[CrossRef]

Botton, G. A.

S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998).
[CrossRef]

Boyd, R. W.

R. W. Boyd, Nonlinear Optics (Elsevier, 2003).

Chu, K. C.

G. Y. Guo, K. C. Chu, D. S. Wang, and C. G. Duan, Phys. Rev. B 69, 205416 (2004).
[CrossRef]

Duan, C. G.

G. Y. Guo, K. C. Chu, D. S. Wang, and C. G. Duan, Phys. Rev. B 69, 205416 (2004).
[CrossRef]

Dudarev, S. L.

S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998).
[CrossRef]

Fan, C. Z.

C. Z. Fan and J. P. Huang, Appl. Phys. Lett. 89, 141906 (2006).
[CrossRef]

Fiebig, M.

Furthmuller, J.

G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
[CrossRef]

Goodenough, J.

J. Goodenough, Phys. Rev. 100, 564 (1955).
[CrossRef]

Gros, C.

D. Sa, R. Valenti, and C. Gros, Eur. Phys. J. B 14, 301 (2000).
[CrossRef]

Guo, G. Y.

S. Ju and G. Y. Guo, J. Chem. Phys. 129, 194704 (2008).
[CrossRef] [PubMed]

G. Y. Guo and J. C. Lin, Phys. Rev. B 71, 165402 (2005).
[CrossRef]

G. Y. Guo and J. C. Lin, Phys. Rev. B 72, 075416 (2005).
[CrossRef]

G. Y. Guo, K. C. Chu, D. S. Wang, and C. G. Duan, Phys. Rev. B 69, 205416 (2004).
[CrossRef]

Hafner, J.

G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
[CrossRef]

G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
[CrossRef]

Halasyamani, P. S.

P. S. Halasyamani and K. R. Poppelmeier, Chem. Mater. 10, 2753 (1998).
[CrossRef]

Hanamura, E.

E. Hanamura and Y. Tanabe, Phase Transitions 79, 957 (2006).
[CrossRef]

He, J. P.

Y. Shimada, M. Matsubara, Y. Kaneko, J. P. He, and Y. Tokura, Appl. Phys. Lett. 89, 101112 (2006).
[CrossRef]

Huang, J. P.

C. Z. Fan and J. P. Huang, Appl. Phys. Lett. 89, 141906 (2006).
[CrossRef]

Humphreys, C. J.

S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998).
[CrossRef]

Igawa, N.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Iikubo, S.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Ishii, F.

Y. Uratani, T. Shishidou, F. Ishii, and T. Oguchi, Jpn. J. Appl. Phys. Part 1 44, 7130 (2005).
[CrossRef]

Izumi, F.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Jepsen, O.

P. E. Blochl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).
[CrossRef]

Joubert, D.

G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
[CrossRef]

Ju, S.

S. Ju and G. Y. Guo, J. Chem. Phys. 129, 194704 (2008).
[CrossRef] [PubMed]

Kaneko, Y.

Y. Shimada, M. Matsubara, Y. Kaneko, J. P. He, and Y. Tokura, Appl. Phys. Lett. 89, 101112 (2006).
[CrossRef]

Kodama, K.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Kresse, G.

G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
[CrossRef]

G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
[CrossRef]

G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
[CrossRef]

G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
[CrossRef]

Lin, J. C.

G. Y. Guo and J. C. Lin, Phys. Rev. B 72, 075416 (2005).
[CrossRef]

G. Y. Guo and J. C. Lin, Phys. Rev. B 71, 165402 (2005).
[CrossRef]

Matsubara, M.

Y. Shimada, M. Matsubara, Y. Kaneko, J. P. He, and Y. Tokura, Appl. Phys. Lett. 89, 101112 (2006).
[CrossRef]

Niitaka, S.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Oguchi, T.

Y. Uratani, T. Shishidou, F. Ishii, and T. Oguchi, Jpn. J. Appl. Phys. Part 1 44, 7130 (2005).
[CrossRef]

Pavlov, V. V.

Pisarev, R. V.

Poppelmeier, K. R.

P. S. Halasyamani and K. R. Poppelmeier, Chem. Mater. 10, 2753 (1998).
[CrossRef]

Sa, D.

D. Sa, R. Valenti, and C. Gros, Eur. Phys. J. B 14, 301 (2000).
[CrossRef]

Savrasov, S. Y.

S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998).
[CrossRef]

Shamoto, S.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Shimada, Y.

Y. Shimada, M. Matsubara, Y. Kaneko, J. P. He, and Y. Tokura, Appl. Phys. Lett. 89, 101112 (2006).
[CrossRef]

Shimakawa, Y.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Shishidou, T.

Y. Uratani, T. Shishidou, F. Ishii, and T. Oguchi, Jpn. J. Appl. Phys. Part 1 44, 7130 (2005).
[CrossRef]

Sutton, A. P.

S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998).
[CrossRef]

Takano, M.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Takayama-Muromachi, E.

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Tanabe, Y.

E. Hanamura and Y. Tanabe, Phase Transitions 79, 957 (2006).
[CrossRef]

Tokura, Y.

Y. Tokura, J. Magn. Magn. Mater. 310, 1145 (2007).
[CrossRef]

Y. Shimada, M. Matsubara, Y. Kaneko, J. P. He, and Y. Tokura, Appl. Phys. Lett. 89, 101112 (2006).
[CrossRef]

Uratani, Y.

Y. Uratani, T. Shishidou, F. Ishii, and T. Oguchi, Jpn. J. Appl. Phys. Part 1 44, 7130 (2005).
[CrossRef]

Valenti, R.

D. Sa, R. Valenti, and C. Gros, Eur. Phys. J. B 14, 301 (2000).
[CrossRef]

Wang, D. S.

G. Y. Guo, K. C. Chu, D. S. Wang, and C. G. Duan, Phys. Rev. B 69, 205416 (2004).
[CrossRef]

Appl. Phys. Lett. (2)

Y. Shimada, M. Matsubara, Y. Kaneko, J. P. He, and Y. Tokura, Appl. Phys. Lett. 89, 101112 (2006).
[CrossRef]

C. Z. Fan and J. P. Huang, Appl. Phys. Lett. 89, 141906 (2006).
[CrossRef]

Chem. Mater. (2)

P. S. Halasyamani and K. R. Poppelmeier, Chem. Mater. 10, 2753 (1998).
[CrossRef]

A. A. Belik, S. Iikubo, K. Kodama, N. Igawa, S. Shamoto, S. Niitaka, M. Azuma, Y. Shimakawa, M. Takano, F. Izumi, and E. Takayama-Muromachi, Chem. Mater. 18, 798 (2006).
[CrossRef]

Comput. Mater. Sci. (1)

G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
[CrossRef]

Eur. Phys. J. B (1)

D. Sa, R. Valenti, and C. Gros, Eur. Phys. J. B 14, 301 (2000).
[CrossRef]

J. Chem. Phys. (1)

S. Ju and G. Y. Guo, J. Chem. Phys. 129, 194704 (2008).
[CrossRef] [PubMed]

J. Magn. Magn. Mater. (1)

Y. Tokura, J. Magn. Magn. Mater. 310, 1145 (2007).
[CrossRef]

J. Opt. Soc. Am. B (1)

Jpn. J. Appl. Phys. Part 1 (1)

Y. Uratani, T. Shishidou, F. Ishii, and T. Oguchi, Jpn. J. Appl. Phys. Part 1 44, 7130 (2005).
[CrossRef]

Phase Transitions (1)

E. Hanamura and Y. Tanabe, Phase Transitions 79, 957 (2006).
[CrossRef]

Phys. Rev. (1)

J. Goodenough, Phys. Rev. 100, 564 (1955).
[CrossRef]

Phys. Rev. B (10)

P. E. Blochl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).
[CrossRef]

G. Y. Guo, K. C. Chu, D. S. Wang, and C. G. Duan, Phys. Rev. B 69, 205416 (2004).
[CrossRef]

G. Y. Guo and J. C. Lin, Phys. Rev. B 71, 165402 (2005).
[CrossRef]

G. Y. Guo and J. C. Lin, Phys. Rev. B 72, 075416 (2005).
[CrossRef]

D. E. Aspnes, Phys. Rev. B 6, 4648 (1972).
[CrossRef]

G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
[CrossRef]

S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B 57, 1505 (1998).
[CrossRef]

P. E. Blochl, Phys. Rev. B 50, 17953 (1994).
[CrossRef]

G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
[CrossRef]

G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
[CrossRef]

Other (1)

R. W. Boyd, Nonlinear Optics (Elsevier, 2003).

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Figures (2)

Fig. 1
Fig. 1

Magnetic-ordering dependence of linear dielectric function and SHG ( 10 6 esu ) in Bi Co O 3 (real part). For xx component, the sequence at low frequency (in the ascending sort) is FM, A-type AFM, G-type AFM, and C-type AFM. For zz component, the sequence is G-type AFM, FM, C-type AFM, and A-type AFM. For xxz component, the sequence is A-type AFM, FM, C-type AFM, and G-type AFM. For zxx component, the sequence is A-type AFM, FM, C-type AFM, and G-type AFM. For zzz component, the sequence is A-type AFM, C-type AFM, FM, and G-type AFM.

Fig. 2
Fig. 2

Magnetic-ordering dependence of linear dielectric function and SHG ( 10 6 esu ) in Bi Co O 3 (imaginary part). From the top to the bottom are the components of χ x x z ( 2 ) , χ z x x ( 2 ) , χ z z z ( 2 ) , ϵ x x , and ϵ z z . The dotted line is for ϵ ( ω 2 ) , and solid line is for ϵ ( ω ) .

Tables (1)

Tables Icon

Table 1 Magnetic-Ordering Dependence of Linear Dielectric Constant ( ϵ ) and Low-Frequency Second-Order Susceptibility ( χ ( 2 ) ) ( 10 8 esu ) in Bi Co O 3

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