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The representation group and its application to space groups

Jin-Quan Chen, Mei-Juan Gao, and Guang-Qun Ma

Jin-Quan Chen, Mei-Juan Gao, and Guang-Qun Ma

  • Department of Physics, Nanjing University, Nanjing, People's Republic of China

Rev. Mod. Phys. 57, 211 – Published 1 January, 1985

DOI: https://doi.org/10.1103/RevModPhys.57.211

Abstract

A so-called representation (rep) group G is introduced which is formed by all the |G| distinct operators (or matrices) of an abstract group Ĝ in a rep space L and which is an m-fold covering group of another abstract group g. G forms a rep of Ĝ. The rep group differs from an abstract group in that its elements are not linearly independent and thus the number n of its linearly independent class operators is less than its class number N. A systematic theory is established for the rep group based on Dirac's CSCO (complete set of commuting operators) approach in quantum mechanics. This theory also comprises the rep theory for abstract groups as a special case of m=1. Three kinds of CSCO, the CSCO-I, -II, and -III, are defined which are the analogies of J2, (J2,Jz), and (J2,Jz,J¯z), respectively, for the rotation group SO3, where J¯z is the component of angular momentum in the intrinsic frame. The primitive characters, the irreducible basis and Clebsch-Gordan coefficients, and the irreducible matrices of the rep group G in any subgroup symmetry adaptation can be found by solving the eigenequations of the CSCO-I, -II, and -III of G, respectively, in appropriate vector spaces. It is shown that the rep group G has only n instead of N inequivalent irreducible representations (irreps), which are just the allowable irreps of the abstract group Ĝ in the space L. Therefore, the construction of the irreps of Ĝ in L can be replaced by that of G. The labor involved in the construction of the irreps of the rep group G with order |G| is no more than that for the group g with order |g|=|G|m, and thus tremendous labor can be saved by working with the rep group G instead of the abstract group Ĝ. Based on the rep-group theory, a new approach to the space-group rep theory is proposed, which is distinguished by its simplicity and applicability. Corresponding to each little group G(k), there is a rep group Gk. The n inequivalent irreps of Gk are essentially just the acceptable irreps of the little group G(k). Consequently the construction of the irreps of G(k) is almost as easy as that of the little co-group G0(k). An easily programmable algorithm is established for computing the Clebsch-Gordan series and Clebsch-Gordan coefficients of a space group simultaneously.

References (151)

  1. Altmann, S. L., 1963, Philos. Trans. R. Soc. London, Ser. A 255, 216
  2. Altmann, S. L., 1977, Induced Representation in Crystals and Molecules (Academic, London)
  3. Arima, A., and F. Iachello, 1979, Ann. Phys. (N.Y.) 123, 468
  4. Baird, G. E., and L. C. Biedenharn, 1963, J. Math. Phys. 4, 1449
  5. Bayman, B. F., and A. Lande, 1966, Nucl. Phys. 77, 1
  6. Berenson, R., and J. L. Birman, 1975, J. Math. Phys. 16, 227
  7. Berenson, R., I. Itzkan, and J. L. Birman, 1975, J. Math. Phys. 16, 236
  8. Bickerstaff, R. P., P. H. Butler, M. B. Butts, R. W. Haase, and M. F. Reid, 1982, J. Phys. A 15, 1087
  9. Biedenharn, L. C., 1963a, J. Math. Phys. 4, 436
  10. Biedenharn, L. C., 1963b, in Lectures in Theoretical Physics Vol. 5: Lectures delivered at the Summer Institute for Theoretical Physics, University of Colorado...1962, edited by W. E. Brittin, B. W. Downs, and J. Downs (Interscience, New York), p. 258
  11. Birman, J. L., 1962, Phys. Rev. 127, 1093
  12. Birman, J. L., 1974, Theory of Space Group and Raman Lattice Processes in Insulating Crystals, Handbook of Physics XXV(2b) (Springer, Berlin)
  13. Birman, J. L., 1982, Physica A 114, 564
  14. Boerner, H., 1963, Representations of Groups (North-Holland, Amsterdam)
  15. Bohr, A., and B. R. Mottelson, 1969, Nuclear Structure (Benjamin, New York), Vol. 1
  16. Bouckaert, L. P., R. Smoluchowski, and E. Wigner, 1936, Phys. Rev. 50, 58
  17. Bradley, C. J., and A. P. Cracknell, 1972, The Mathematical Theory of Symmetry in Solids—Representation theory for point groups and space groups (Clarendon, Oxford)
  18. Burnside, W., 1955, Theory of Groups of Finite Order (Dover, New York)
  19. Butler, P. H., and B. G. Wybourne, 1976a, Int. J. Quantum Chem. 10, 581
  20. Butler, P. H., and B. G. Wybourne, 1976b, Int. J. Quantum. Chem. 10, 615
  21. Butler, P. H., 1981, Point Group Symmetry Applications, Methods, and Tables (Plenum, New York)
  22. Chen, J. Q., 1981, J. Math. Phys. 22, 1
  23. Chen, J. Q., 1984, A New Approach to Group Representation Theory (Science and Technology Press, Shanghai)
  24. Chen, J. Q., and X. G. Chen, 1983, J. Phys. A 16, 3435
  25. Chen, J. Q., X. G. Chen, and M. J. Gao, 1983a, J. Phys. A 16, L47
  26. Chen, J. Q., X. G. Chen, and M. J. Gao, 1983b, J. Phys. A 16, 1361
  27. Chen, J. Q., X. G. Chen, and M. J. Gao, 1984, Nucl. PHys. A 421, 387c
  28. Chen, J. Q., D. Collinson, and M. J. Gao, 1983, J. Math. Phys. 24, 2695
  29. Chen, J. Q., and M. J. Gao, 1981, Reduction Coefficients of Permutation Groups and Their Applications (Science Press, Beijing)
  30. Chen, J. Q., and M. J. Gao, 1982, J. Math. Phys. 23, 928
  31. Chen, J. Q., M. J. Gao, and X. G. Chen, 1984a, J. Phys. A 17, 481
  32. Chen, J. Q., M. J. Gao, and X. G. Chen, 1984b, J. Phys. A 17, 1941
  33. Chen, J. Q., M. J. Gao, and G. Q. Ma, 1983, Commun. Theor. Phys. (Beijing) 2, 1613
  34. Chen, J. Q., M. J. Gao, Y. J. Shi, M. Vallières, and D. H. Feng, 1984, Nucl. PHys. A 419, 77
  35. Chen, J. Q., M. J. Gao, F. Wang, and T. R. Yu, 1979, J. Nanjing Univ. No. 4, 37
  36. Chen, J. Q., Y. J. Shi, D. H. Feng, and M. Vallières, 1983, Nucl. PHys. A 393, 122
  37. Chen, J. Q., F. Wang, and M. J. Gao, 1975, "Intrinsic rotation group" (unpublished)
  38. Chen, J. Q., F. Wang, and M. J. Gao, 1977a, Wuli Xuebao (Acta Phys. Sin.) 26, 307
  39. Chen, J. Q., F. Wang, and M. J. Gao, 1977b, Wuli Xuebao (Acta Phys. Sin.) 26, 427
  40. Chen, J. Q., F. Wang, and M. J. Gao, 1977c, J. Nanjing Univ. No. 2, 148
  41. Chen, J. Q., F. Wang, and M. J. Gao, 1978a, Wuli Xuebao (Acta Phys. Sin.) 27, 31
  42. Chen, J. Q., F. Wang, and M. J. Gao, 1978b, Wuli Xuebao (Acta Phys. Sin.) 27, 203
  43. Chen, J. Q., F. Wang, and M. J. Gao, 1978c, J. Nanjing Univ. No. 2, 110
  44. Chen, J. Q., F. Wang, and M. J. Gao, 1983, J. Phys. A 16, 1347
  45. Chen, J. Q., F. Wang, M. J. Gao, and T. R. Yu, 1980, Sci. Sin. 23, 1116
  46. Coleman, A. J., 1968, in Group Theory and its Application, edited by E. M. Loebl (Academic, New York), p. 57
  47. Cornwell, J. F., 1969, Group Theory and Electronic Energy Bands in Solids (North-Holland, Amsterdam)
  48. Cornwell, J. F., 1970, Phys. Status Solidi 37, 225
  49. Cracknell, A. P., 1975, Group Theory in Solid-State Physics (Taylor and Francis, London)
  50. Cracknell, A. P., B. L. Davies, S. C. Miller, and W. F. Love, 1979, Kronecker Product Tables, Vol. I, General Introduction and Tables of Irreducible Representations of Space Groups (Plenum, New York)
  51. Cracknell, A. P., and B. L. Davies, 1979, Kronecker Product Tables, Vol. III, Wave Vector Selection Rules and Reductions of Kronecker Products for Irreducible Representations of Triclinic, Monoclinic, Tetragonal and Hexagonal Space Groups (Plenum, New York)
  52. Davies, B. L., 1982, Physica A 114, 507
  53. Davies, B. L., and A. P. Cracknell, 1979, Kronecker Product Tables, Vol. II, Wave Vector Selection Rules and Reductions of Kronecker Products for Irreducible Representations of Orthorhombic and Cubic Space Groups (Plenum, New York)
  54. Davies, B. L., and A. P. Cracknell, 1980, Kronecker Product Tables, Vol. IV, Symmetrized Powers of Irreducible Representations of Space Groups (Plenum, New York)
  55. Davies, B. L., and R. Dirl, 1983, in Proceedings of XIIth International Coll. on Group Theoretical Methods (Trieste)
  56. Deonarine, S., and J. L. Birman, 1983a, Phys. Rev. B 27, 2855
  57. Deonarine, S., and J. L. Birman, 1983b, Phys. Rev. B 27, 4261
  58. Devine, S. D., 1967, J. Chem. Phys. 47, 1844
  59. Dirl, R., 1977, J. Math. Phys. 18, 2065
  60. Dirl, R., 1979a, J. Math. Phys. 20, 659
  61. Dirl, R., 1979b, J. Math. Phys. 20, 664
  62. Dirl, R., 1979c, J. Math. Phys. 20, 671
  63. Dirl, R., 1979d, J. Math. Phys. 20, 679
  64. Dirl, R., 1980a, J. Math. Phys. 21, 961, 968, 975, 983, 989, 997
  65. Dirl, R., 1980b, J. Math. Phys. 21, 2011, 2019
  66. Dixon, J. D., 1967, Numer. Math. 10, 446
  67. Döring, W., 1959, Z. Naturforsch. 14a, 343
  68. Eisenhart, L. P., 1933, Continuous Groups of Transformations (Princeton University, Princeton, N.J.)
  69. Elliott, J. P., and P. G. Dawber, 1979, Symmetry in Physics (Macmillan, London)
  70. Faddeev, D. K., 1961, Tables of the Principle Representations of the Federov Groups (Academy of Sciences of USSR, Moscow)
  71. Flodmark, S., and E. Blokker, 1972, Int. J. Quantum Chem. 6, 925
  72. Flodmark, S., and P.-O. Jansson, 1982, Physica A 114, 485
  73. Folland, N. O., 1977, J. Math. Phys. 18, 31
  74. Folland, N. O., 1979, J. Math. Phys. 20, 1274
  75. Gamba, A., 1969, J. Math. Phys. 10, 872
  76. Gao, M. J., and J. Q. Chen, 1985, J. Phys. A (in press)
  77. Gao, M. J., C. G. Yao, Y. M. Chen, and J. Q. Chen, 1976, "The calculation of the character of the permutation group S11 by the eigenfunction method" (unpublished)
  78. Gard, P., 1973, J. Phys. A 6, 1837
  79. Hamermesh, M., 1962, Group Theory and Its Application to Physical Problems (Addison-Wesley, Reading, Mass.)
  80. Herring, C., 1942, J. Franklin Inst. 233, 525
  81. Hsieh, H. T., and H. S. Chen, 1964, Wuli Xuebao (Acta Phys. Sin.) 20, 970
  82. Hurley, A. C., 1966, Philos. Trans. R. Soc. London, Ser. A 260, 1
  83. Jansen, L., and M. Boon, 1967, Theory of Finite Groups and Applications in Physics (North-Holland, Amsterdam)
  84. Johnston, D. F., 1960, Rep. Prog. Phys. 23, 66
  85. Jones, H., 1975, The Theory of Brillouin Zones and Electronic States (North-Holland, Amsterdam), p. 87
  86. Killingbeck, J., 1970, J. Math. Phys. 11, 2268
  87. Killingbeck, J., 1973, J. Math. Phys. 14, 185
  88. Klauder, L. T., Jr., and J. G. Gay, 1968, J. Math. Phys. 9, 1488
  89. Klein, D. J., and T. H. Seligman, 1982, Kinam. 4, 349
  90. Koster, G. F., 1957, Solid State Phys. 5, 173
  91. Koster, G. F., 1958, Phys. Rev. 109, 227
  92. Koster, G. F., J. O. Dimmock, R. G. Wheeler, and H. Statz, 1963, Properties of the Thirty-two Point Groups (MIT, Cambridge, Mass.)
  93. Kotzev, J. N., and M. I. Aroyo, 1980, J. Phys. A 13, 2275
  94. Kotzev, J. N., and M. I. Aroyo, 1981, J. Phys. A 14, 1543
  95. Kotzev, J. N., and M. I. Aroyo, 1982, J. Phys. A 15, 711, 725
  96. Kovalev, O. V., 1961, Irreducible Representations of the Space Groups (Academy of Sciences of USSR, Kiev) (Engl. transl. 1965, Gordon and Breach, New York)
  97. Kovalev, O. V., and G. Ya. Lyubarskii, 1958, Zh. Tekh. Fiz. 28, 1151
  98. Kowalczyk, R., M. Suffczynski, and H. Kunert, 1980, Prace Inst. Fiz. Pol. Akad. Nauk 83
  99. Kunert, H., and M. Suffczynski, 1980, J. Phys. (Paris) 41, 1361
  100. Kunert, H., and M. Suffczynski, 1982, Physica A 114, 600
  101. Lipkin, H. J., 1966, Lie Groups for Pedestrians (North-Holland, Amsterdam)
  102. Littlewood, D. E., 1958, The Theory of Group Characters (Oxford University, Oxford)
  103. Litvin, D. B., and J. Zak, 1968, J. Math. Phys. 9, 212
  104. Löwdin, P.-O., 1967, Rev. Mod. Phys. 39, 259
  105. Lyubarskii, G. Ya., 1957, Group Theory and its Applications to Physics (National Technical and Theoretical Literature, Moscow) (English translation 1960, Pergamon, Oxford/New York)
  106. Mackey, G. W., 1952, Ann. Math. 55, 101
  107. Mackey, G. W., 1958, Acta Math. 99, 265
  108. Mackey, G. W., 1968, Induced Representations of Groups and Quantum Mechanics (Benjamin, New York)
  109. Maradudin, A. A., and S. H. Vosko, 1968, Rev. Mod. Phys. 40, 1
  110. McVoy, K. W., 1965, Rev. Mod. Phys. 37, 84
  111. Melvin, M. A., 1956, Rev. Mod. Phys. 28, 18
  112. Miller, S. C., and W. F. Love, 1967, Tables of the Irreducible Representations of Space Groups and Corepresentations of Magnetic Groups (Pruett, Boulder, Colorado)
  113. Miller, W., Jr., 1972, Symmetry Groups and Their Applications (Academic, New York)
  114. Murnaghan, F., 1938, The Theory of Group Representation (Johns Hopkins University, Baltimore)
  115. Neto, N., 1973, Acta Crystallogr. Sect. A 29, 464
  116. Neto, N., 1975, Comput. Phys. Commun. 9, 231
  117. Neubüser, J., 1982, Physica A 114, 493
  118. Racah, G., 1951, Group Theory and Spectroscopy, Princeton Institute For Advanced Study Lectures Reprinted in Springer Tracts in Modern Physics (Springer, Berlin, 1965), Vol. 37, p. 28
  119. Rudra, P., and M. K. Sikdar, 1976, J. Math. Phys. 17, 463
  120. Rutherford, D. E., 1948, Substitutional Analysis (Edinburgh University, Edinburgh)
  121. Saharasbudhe, G. G., K. V. Dinesha, and C. R. Sarma, 1981, J. Phys. A 14, 85
  122. Sahni, V. C., and G. Venkataraman, 1970, Phys. Kond. Mater. 11, 199
  123. Sakata, I., 1974, J. Math. Phys. 15, 1702 (Part I), 1710 (Part II)
  124. Salam, A., 1963, in Theoretical Physics (IAEA, Vienna), p. 173
  125. Saulevich, L. K., D. T. Sviridov, and Yu. F. Smirnov, 1970, Kristallografiya 15, 415
  126. Schindler, S., and R. Mirman, 1977a, J. Math. Phys. 18, 1678
  127. Schindler, S., and R. Mirman, 1977b, J. Math. Phys. 18, 1697
  128. Schindler, S., and R. Mirman, 1978, Comput. Phys. Commun. 15, 131
  129. Schur, I., 1904, J. Reine Angew. Math. 127, 20
  130. Schur, I., 1907, J. Reine Angew. Math. 132, 85
  131. Schur, I., 1911, Math. Ann. 71, 355
  132. Seitz, F., 1936, Ann. Math. 37, 17
  133. Slater, J. C., 1962, Quantum Theory of Molecules and Solids, Vol. II, Symmetry and Energy Band in Crystals (McGraw-Hill, New York)
  134. Slater, J. C., 1965, Rev. Mod. Phys. 37, 68
  135. So, S. I., and D. Strottman, 1979, J. Math. Phys. 20, 153
  136. Statz, H., and G. F. Koster, 1959, Phys. Rev. 115, 1568
  137. Suffczynski, M., and H. Kunert, 1982, Physica A 114, 596
  138. Tao, R. B., 1983, Prog. in Phys. (in Chinese) 3, 189
  139. Tinkham, M., 1964, Group Theory and Quantum Mechanics (McGraw-Hill, New York), p. 41
  140. van den Broek, P. M., 1979a, Phys. Status Solidi B 94, 487
  141. van den Broek, P. M., 1979b, J. Math. Phys. 20, 2028
  142. van den Broek, P. M., and J. F. Cornwell, 1978, Phys. Status Solidi B 90, 211
  143. Weyl, H., 1950, Group Theory and Quantum Mechanics (Dover, New York)
  144. Wigner, E., 1959, Group Theory and Its Application to the Quantum Mechanics of Atomic Spectra (Academic, New York)
  145. Worlton, T. G., 1973, Comput. Phys. Commun. 6, 149
  146. Wu, X. B., 1984, private communication
  147. Wybourne, B. G., 1974, Classical Groups For Physicists (Wiley, New York)
  148. Zak, J., 1960, J. Math. Phys. 1, 165
  149. Zak, J., A. Casher, M. Glück, and Y. Gur, 1969, The Irreducible Representation of Space Groups (Benjamin, New York)
  150. Zheng, Q. R., 1985, master thesis, The Institute of Physics, Chinese Academy
  151. Zhu, C. J., and J. Q. Chen, 1984, J. Math. Phys. 24, 2266

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