Abstract

The factor group symmetry analysis (FSA) method and position symmetry analysis (PSA) method are used to analyze the vibrational modes of calcite (CaCO3) crystal, respectively. With the activated results of infrared and Raman spectra presented, strong points of each method are concluded. The infrared spectra are studied by using dynamics calculations based on density-functional theory (DFT) with the supercell model of calcite crystal. The frequencies of 27 normal modes are achieved, which are consistent with that by the group symmetry analysis very well, and fit with the experimental results better than the lattice dynamical methods.

© 2007 Chinese Optics Letters

PDF Article

References

  • View by:
  • |
  • |
  • |

  1. W. G. Fateley, N. T. Mcdevitt, and F. F. Bentley, Appl. Spectrosc. 25, 155 (1971).
  2. G. Zhang, G. Lan, and Y. Wang, Lattice Vibration Spectrocopy (in Chinese) (Higher Education Press, Beijing, 2001) p.64.
  3. P. Zhao, H. Xia, L. Li, and X. Meng, J. Shandong University (in Chinese) 38, 70 (2003).
  4. F. Zhang, Z. Deng, J. Yan, and Z. Zhang, Acta Opt. Sin. (in Chinese) 26, 1023 (2006).
  5. G. Qiu, Q. Xiao, Y. Hu, W. Qin, and D. Wang, J. Colloid and Interface Science 270, 127 (2004).
  6. B. Andriyevsky, V. Kapustianyk, W. Ciepluch-Trojanek, and A. Batiuk, Physica B 367, 216 (2005).
  7. Y. Sun and Y. Qi, Safety and Environmental Engineering (in Chinese) 13, 103 (2006).
  8. M. Shui, L. Yue, Q. Liu, and Z. Xu, Chin. J. Inorg. Chem. (in Chinese) 15, 715 (1999).
  9. F. A. Andersen and L. Brecevic, Acta Chem. Scand. 45, 1018 (1991).
  10. K. H. Hellwege, W. Lesch, M. Plihal, and G. Schaack, Z. Physik 232, 61 (1970).
  11. A. Pavese, M. Catti, G. D. Price, and R. A. Jackson, Phys. Chem. Minerals 19, 80 (1992).
  12. T. Pilati, F. Demartin, and C. M. Gramaccioli, Acta Cryst. B 54, 515 (1998).

2006 (2)

F. Zhang, Z. Deng, J. Yan, and Z. Zhang, Acta Opt. Sin. (in Chinese) 26, 1023 (2006).

Y. Sun and Y. Qi, Safety and Environmental Engineering (in Chinese) 13, 103 (2006).

2005 (1)

B. Andriyevsky, V. Kapustianyk, W. Ciepluch-Trojanek, and A. Batiuk, Physica B 367, 216 (2005).

2004 (1)

G. Qiu, Q. Xiao, Y. Hu, W. Qin, and D. Wang, J. Colloid and Interface Science 270, 127 (2004).

2003 (1)

P. Zhao, H. Xia, L. Li, and X. Meng, J. Shandong University (in Chinese) 38, 70 (2003).

1999 (1)

M. Shui, L. Yue, Q. Liu, and Z. Xu, Chin. J. Inorg. Chem. (in Chinese) 15, 715 (1999).

1998 (1)

T. Pilati, F. Demartin, and C. M. Gramaccioli, Acta Cryst. B 54, 515 (1998).

1992 (1)

A. Pavese, M. Catti, G. D. Price, and R. A. Jackson, Phys. Chem. Minerals 19, 80 (1992).

1991 (1)

F. A. Andersen and L. Brecevic, Acta Chem. Scand. 45, 1018 (1991).

1971 (1)

1970 (1)

K. H. Hellwege, W. Lesch, M. Plihal, and G. Schaack, Z. Physik 232, 61 (1970).

Andersen, F. A.

F. A. Andersen and L. Brecevic, Acta Chem. Scand. 45, 1018 (1991).

Andriyevsky, B.

B. Andriyevsky, V. Kapustianyk, W. Ciepluch-Trojanek, and A. Batiuk, Physica B 367, 216 (2005).

Batiuk, A.

B. Andriyevsky, V. Kapustianyk, W. Ciepluch-Trojanek, and A. Batiuk, Physica B 367, 216 (2005).

Bentley, F. F.

Brecevic, L.

F. A. Andersen and L. Brecevic, Acta Chem. Scand. 45, 1018 (1991).

Catti, M.

A. Pavese, M. Catti, G. D. Price, and R. A. Jackson, Phys. Chem. Minerals 19, 80 (1992).

Ciepluch-Trojanek, W.

B. Andriyevsky, V. Kapustianyk, W. Ciepluch-Trojanek, and A. Batiuk, Physica B 367, 216 (2005).

Demartin, F.

T. Pilati, F. Demartin, and C. M. Gramaccioli, Acta Cryst. B 54, 515 (1998).

Deng, Z.

F. Zhang, Z. Deng, J. Yan, and Z. Zhang, Acta Opt. Sin. (in Chinese) 26, 1023 (2006).

Fateley, W. G.

Gramaccioli, C. M.

T. Pilati, F. Demartin, and C. M. Gramaccioli, Acta Cryst. B 54, 515 (1998).

Hellwege, K. H.

K. H. Hellwege, W. Lesch, M. Plihal, and G. Schaack, Z. Physik 232, 61 (1970).

Hu, Y.

G. Qiu, Q. Xiao, Y. Hu, W. Qin, and D. Wang, J. Colloid and Interface Science 270, 127 (2004).

Jackson, R. A.

A. Pavese, M. Catti, G. D. Price, and R. A. Jackson, Phys. Chem. Minerals 19, 80 (1992).

Kapustianyk, V.

B. Andriyevsky, V. Kapustianyk, W. Ciepluch-Trojanek, and A. Batiuk, Physica B 367, 216 (2005).

Lesch, W.

K. H. Hellwege, W. Lesch, M. Plihal, and G. Schaack, Z. Physik 232, 61 (1970).

Li, L.

P. Zhao, H. Xia, L. Li, and X. Meng, J. Shandong University (in Chinese) 38, 70 (2003).

Liu, Q.

M. Shui, L. Yue, Q. Liu, and Z. Xu, Chin. J. Inorg. Chem. (in Chinese) 15, 715 (1999).

Mcdevitt, N. T.

Meng, X.

P. Zhao, H. Xia, L. Li, and X. Meng, J. Shandong University (in Chinese) 38, 70 (2003).

Pavese, A.

A. Pavese, M. Catti, G. D. Price, and R. A. Jackson, Phys. Chem. Minerals 19, 80 (1992).

Pilati, T.

T. Pilati, F. Demartin, and C. M. Gramaccioli, Acta Cryst. B 54, 515 (1998).

Plihal, M.

K. H. Hellwege, W. Lesch, M. Plihal, and G. Schaack, Z. Physik 232, 61 (1970).

Price, G. D.

A. Pavese, M. Catti, G. D. Price, and R. A. Jackson, Phys. Chem. Minerals 19, 80 (1992).

Qi, Y.

Y. Sun and Y. Qi, Safety and Environmental Engineering (in Chinese) 13, 103 (2006).

Qin, W.

G. Qiu, Q. Xiao, Y. Hu, W. Qin, and D. Wang, J. Colloid and Interface Science 270, 127 (2004).

Qiu, G.

G. Qiu, Q. Xiao, Y. Hu, W. Qin, and D. Wang, J. Colloid and Interface Science 270, 127 (2004).

Schaack, G.

K. H. Hellwege, W. Lesch, M. Plihal, and G. Schaack, Z. Physik 232, 61 (1970).

Shui, M.

M. Shui, L. Yue, Q. Liu, and Z. Xu, Chin. J. Inorg. Chem. (in Chinese) 15, 715 (1999).

Sun, Y.

Y. Sun and Y. Qi, Safety and Environmental Engineering (in Chinese) 13, 103 (2006).

Wang, D.

G. Qiu, Q. Xiao, Y. Hu, W. Qin, and D. Wang, J. Colloid and Interface Science 270, 127 (2004).

Xia, H.

P. Zhao, H. Xia, L. Li, and X. Meng, J. Shandong University (in Chinese) 38, 70 (2003).

Xiao, Q.

G. Qiu, Q. Xiao, Y. Hu, W. Qin, and D. Wang, J. Colloid and Interface Science 270, 127 (2004).

Xu, Z.

M. Shui, L. Yue, Q. Liu, and Z. Xu, Chin. J. Inorg. Chem. (in Chinese) 15, 715 (1999).

Yan, J.

F. Zhang, Z. Deng, J. Yan, and Z. Zhang, Acta Opt. Sin. (in Chinese) 26, 1023 (2006).

Yue, L.

M. Shui, L. Yue, Q. Liu, and Z. Xu, Chin. J. Inorg. Chem. (in Chinese) 15, 715 (1999).

Zhang, F.

F. Zhang, Z. Deng, J. Yan, and Z. Zhang, Acta Opt. Sin. (in Chinese) 26, 1023 (2006).

Zhang, Z.

F. Zhang, Z. Deng, J. Yan, and Z. Zhang, Acta Opt. Sin. (in Chinese) 26, 1023 (2006).

Zhao, P.

P. Zhao, H. Xia, L. Li, and X. Meng, J. Shandong University (in Chinese) 38, 70 (2003).

Acta Chem. Scand. (1)

F. A. Andersen and L. Brecevic, Acta Chem. Scand. 45, 1018 (1991).

Acta Cryst. B (1)

T. Pilati, F. Demartin, and C. M. Gramaccioli, Acta Cryst. B 54, 515 (1998).

Acta Opt. Sin. (in Chinese) (1)

F. Zhang, Z. Deng, J. Yan, and Z. Zhang, Acta Opt. Sin. (in Chinese) 26, 1023 (2006).

Appl. Spectrosc. (1)

Chin. J. Inorg. Chem. (in Chinese) (1)

M. Shui, L. Yue, Q. Liu, and Z. Xu, Chin. J. Inorg. Chem. (in Chinese) 15, 715 (1999).

J. Colloid and Interface Science (1)

G. Qiu, Q. Xiao, Y. Hu, W. Qin, and D. Wang, J. Colloid and Interface Science 270, 127 (2004).

J. Shandong University (in Chinese) (1)

P. Zhao, H. Xia, L. Li, and X. Meng, J. Shandong University (in Chinese) 38, 70 (2003).

Phys. Chem. Minerals (1)

A. Pavese, M. Catti, G. D. Price, and R. A. Jackson, Phys. Chem. Minerals 19, 80 (1992).

Physica B (1)

B. Andriyevsky, V. Kapustianyk, W. Ciepluch-Trojanek, and A. Batiuk, Physica B 367, 216 (2005).

Safety and Environmental Engineering (in Chinese) (1)

Y. Sun and Y. Qi, Safety and Environmental Engineering (in Chinese) 13, 103 (2006).

Z. Physik (1)

K. H. Hellwege, W. Lesch, M. Plihal, and G. Schaack, Z. Physik 232, 61 (1970).

Other (1)

G. Zhang, G. Lan, and Y. Wang, Lattice Vibration Spectrocopy (in Chinese) (Higher Education Press, Beijing, 2001) p.64.

Cited By

OSA participates in CrossRef's Cited-By Linking service. Citing articles from OSA journals and other participating publishers are listed here.