- Access by Xinjiang University
The representation group and its application to space groups
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 distinct operators (or matrices) of an abstract group Ĝ in a rep space and which is an -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 of its linearly independent class operators is less than its class number . 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 . Three kinds of CSCO, the CSCO-I, -II, and -III, are defined which are the analogies of , (,), and (,,), respectively, for the rotation group S, where 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 instead of inequivalent irreducible representations (irreps), which are just the allowable irreps of the abstract group Ĝ in the space . Therefore, the construction of the irreps of Ĝ in can be replaced by that of G. The labor involved in the construction of the irreps of the rep group G with order is no more than that for the group g with order , 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 . The inequivalent irreps of 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 (k). An easily programmable algorithm is established for computing the Clebsch-Gordan series and Clebsch-Gordan coefficients of a space group simultaneously.
References (151)
- Altmann, S. L., 1963, Philos. Trans. R. Soc. London, Ser. A 255, 216
- Altmann, S. L., 1977, Induced Representation in Crystals and Molecules (Academic, London)
- Arima, A., and F. Iachello, 1979, Ann. Phys. (N.Y.) 123, 468
- Baird, G. E., and L. C. Biedenharn, 1963, J. Math. Phys. 4, 1449
- Bayman, B. F., and A. Lande, 1966, Nucl. Phys. 77, 1
- Berenson, R., and J. L. Birman, 1975, J. Math. Phys. 16, 227
- Berenson, R., I. Itzkan, and J. L. Birman, 1975, J. Math. Phys. 16, 236
- Bickerstaff, R. P., P. H. Butler, M. B. Butts, R. W. Haase, and M. F. Reid, 1982, J. Phys. A 15, 1087
- Biedenharn, L. C., 1963a, J. Math. Phys. 4, 436
- 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
- Birman, J. L., 1962, Phys. Rev. 127, 1093
- Birman, J. L., 1974, Theory of Space Group and Raman Lattice Processes in Insulating Crystals, Handbook of Physics XXV(2b) (Springer, Berlin)
- Birman, J. L., 1982, Physica A 114, 564
- Boerner, H., 1963, Representations of Groups (North-Holland, Amsterdam)
- Bohr, A., and B. R. Mottelson, 1969, Nuclear Structure (Benjamin, New York), Vol. 1
- Bouckaert, L. P., R. Smoluchowski, and E. Wigner, 1936, Phys. Rev. 50, 58
- 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)
- Burnside, W., 1955, Theory of Groups of Finite Order (Dover, New York)
- Butler, P. H., and B. G. Wybourne, 1976a, Int. J. Quantum Chem. 10, 581
- Butler, P. H., and B. G. Wybourne, 1976b, Int. J. Quantum. Chem. 10, 615
- Butler, P. H., 1981, Point Group Symmetry Applications, Methods, and Tables (Plenum, New York)
- Chen, J. Q., 1981, J. Math. Phys. 22, 1
- Chen, J. Q., 1984, A New Approach to Group Representation Theory (Science and Technology Press, Shanghai)
- Chen, J. Q., and X. G. Chen, 1983, J. Phys. A 16, 3435
- Chen, J. Q., X. G. Chen, and M. J. Gao, 1983a, J. Phys. A 16, L47
- Chen, J. Q., X. G. Chen, and M. J. Gao, 1983b, J. Phys. A 16, 1361
- Chen, J. Q., X. G. Chen, and M. J. Gao, 1984, Nucl. PHys. A 421, 387c
- Chen, J. Q., D. Collinson, and M. J. Gao, 1983, J. Math. Phys. 24, 2695
- Chen, J. Q., and M. J. Gao, 1981, Reduction Coefficients of Permutation Groups and Their Applications (Science Press, Beijing)
- Chen, J. Q., and M. J. Gao, 1982, J. Math. Phys. 23, 928
- Chen, J. Q., M. J. Gao, and X. G. Chen, 1984a, J. Phys. A 17, 481
- Chen, J. Q., M. J. Gao, and X. G. Chen, 1984b, J. Phys. A 17, 1941
- Chen, J. Q., M. J. Gao, and G. Q. Ma, 1983, Commun. Theor. Phys. (Beijing) 2, 1613
- Chen, J. Q., M. J. Gao, Y. J. Shi, M. Vallières, and D. H. Feng, 1984, Nucl. PHys. A 419, 77
- Chen, J. Q., M. J. Gao, F. Wang, and T. R. Yu, 1979, J. Nanjing Univ. No. 4, 37
- Chen, J. Q., Y. J. Shi, D. H. Feng, and M. Vallières, 1983, Nucl. PHys. A 393, 122
- Chen, J. Q., F. Wang, and M. J. Gao, 1975, "Intrinsic rotation group" (unpublished)
- Chen, J. Q., F. Wang, and M. J. Gao, 1977a, Wuli Xuebao (Acta Phys. Sin.) 26, 307
- Chen, J. Q., F. Wang, and M. J. Gao, 1977b, Wuli Xuebao (Acta Phys. Sin.) 26, 427
- Chen, J. Q., F. Wang, and M. J. Gao, 1977c, J. Nanjing Univ. No. 2, 148
- Chen, J. Q., F. Wang, and M. J. Gao, 1978a, Wuli Xuebao (Acta Phys. Sin.) 27, 31
- Chen, J. Q., F. Wang, and M. J. Gao, 1978b, Wuli Xuebao (Acta Phys. Sin.) 27, 203
- Chen, J. Q., F. Wang, and M. J. Gao, 1978c, J. Nanjing Univ. No. 2, 110
- Chen, J. Q., F. Wang, and M. J. Gao, 1983, J. Phys. A 16, 1347
- Chen, J. Q., F. Wang, M. J. Gao, and T. R. Yu, 1980, Sci. Sin. 23, 1116
- Coleman, A. J., 1968, in Group Theory and its Application, edited by E. M. Loebl (Academic, New York), p. 57
- Cornwell, J. F., 1969, Group Theory and Electronic Energy Bands in Solids (North-Holland, Amsterdam)
- Cornwell, J. F., 1970, Phys. Status Solidi 37, 225
- Cracknell, A. P., 1975, Group Theory in Solid-State Physics (Taylor and Francis, London)
- 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)
- 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)
- Davies, B. L., 1982, Physica A 114, 507
- 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)
- Davies, B. L., and A. P. Cracknell, 1980, Kronecker Product Tables, Vol. IV, Symmetrized Powers of Irreducible Representations of Space Groups (Plenum, New York)
- Davies, B. L., and R. Dirl, 1983, in Proceedings of XIIth International Coll. on Group Theoretical Methods (Trieste)
- Deonarine, S., and J. L. Birman, 1983a, Phys. Rev. B 27, 2855
- Deonarine, S., and J. L. Birman, 1983b, Phys. Rev. B 27, 4261
- Devine, S. D., 1967, J. Chem. Phys. 47, 1844
- Dirl, R., 1977, J. Math. Phys. 18, 2065
- Dirl, R., 1979a, J. Math. Phys. 20, 659
- Dirl, R., 1979b, J. Math. Phys. 20, 664
- Dirl, R., 1979c, J. Math. Phys. 20, 671
- Dirl, R., 1979d, J. Math. Phys. 20, 679
- Dirl, R., 1980a, J. Math. Phys. 21, 961, 968, 975, 983, 989, 997
- Dirl, R., 1980b, J. Math. Phys. 21, 2011, 2019
- Dixon, J. D., 1967, Numer. Math. 10, 446
- Döring, W., 1959, Z. Naturforsch. 14a, 343
- Eisenhart, L. P., 1933, Continuous Groups of Transformations (Princeton University, Princeton, N.J.)
- Elliott, J. P., and P. G. Dawber, 1979, Symmetry in Physics (Macmillan, London)
- Faddeev, D. K., 1961, Tables of the Principle Representations of the Federov Groups (Academy of Sciences of USSR, Moscow)
- Flodmark, S., and E. Blokker, 1972, Int. J. Quantum Chem. 6, 925
- Flodmark, S., and P.-O. Jansson, 1982, Physica A 114, 485
- Folland, N. O., 1977, J. Math. Phys. 18, 31
- Folland, N. O., 1979, J. Math. Phys. 20, 1274
- Gamba, A., 1969, J. Math. Phys. 10, 872
- Gao, M. J., and J. Q. Chen, 1985, J. Phys. A (in press)
- Gao, M. J., C. G. Yao, Y. M. Chen, and J. Q. Chen, 1976, "The calculation of the character of the permutation group by the eigenfunction method" (unpublished)
- Gard, P., 1973, J. Phys. A 6, 1837
- Hamermesh, M., 1962, Group Theory and Its Application to Physical Problems (Addison-Wesley, Reading, Mass.)
- Herring, C., 1942, J. Franklin Inst. 233, 525
- Hsieh, H. T., and H. S. Chen, 1964, Wuli Xuebao (Acta Phys. Sin.) 20, 970
- Hurley, A. C., 1966, Philos. Trans. R. Soc. London, Ser. A 260, 1
- Jansen, L., and M. Boon, 1967, Theory of Finite Groups and Applications in Physics (North-Holland, Amsterdam)
- Johnston, D. F., 1960, Rep. Prog. Phys. 23, 66
- Jones, H., 1975, The Theory of Brillouin Zones and Electronic States (North-Holland, Amsterdam), p. 87
- Killingbeck, J., 1970, J. Math. Phys. 11, 2268
- Killingbeck, J., 1973, J. Math. Phys. 14, 185
- Klauder, L. T., Jr., and J. G. Gay, 1968, J. Math. Phys. 9, 1488
- Klein, D. J., and T. H. Seligman, 1982, Kinam. 4, 349
- Koster, G. F., 1957, Solid State Phys. 5, 173
- Koster, G. F., 1958, Phys. Rev. 109, 227
- Koster, G. F., J. O. Dimmock, R. G. Wheeler, and H. Statz, 1963, Properties of the Thirty-two Point Groups (MIT, Cambridge, Mass.)
- Kotzev, J. N., and M. I. Aroyo, 1980, J. Phys. A 13, 2275
- Kotzev, J. N., and M. I. Aroyo, 1981, J. Phys. A 14, 1543
- Kotzev, J. N., and M. I. Aroyo, 1982, J. Phys. A 15, 711, 725
- Kovalev, O. V., 1961, Irreducible Representations of the Space Groups (Academy of Sciences of USSR, Kiev) (Engl. transl. 1965, Gordon and Breach, New York)
- Kovalev, O. V., and G. Ya. Lyubarskii, 1958, Zh. Tekh. Fiz. 28, 1151
- Kowalczyk, R., M. Suffczynski, and H. Kunert, 1980, Prace Inst. Fiz. Pol. Akad. Nauk 83
- Kunert, H., and M. Suffczynski, 1980, J. Phys. (Paris) 41, 1361
- Kunert, H., and M. Suffczynski, 1982, Physica A 114, 600
- Lipkin, H. J., 1966, Lie Groups for Pedestrians (North-Holland, Amsterdam)
- Littlewood, D. E., 1958, The Theory of Group Characters (Oxford University, Oxford)
- Litvin, D. B., and J. Zak, 1968, J. Math. Phys. 9, 212
- Löwdin, P.-O., 1967, Rev. Mod. Phys. 39, 259
- Lyubarskii, G. Ya., 1957, Group Theory and its Applications to Physics (National Technical and Theoretical Literature, Moscow) (English translation 1960, Pergamon, Oxford/New York)
- Mackey, G. W., 1952, Ann. Math. 55, 101
- Mackey, G. W., 1958, Acta Math. 99, 265
- Mackey, G. W., 1968, Induced Representations of Groups and Quantum Mechanics (Benjamin, New York)
- Maradudin, A. A., and S. H. Vosko, 1968, Rev. Mod. Phys. 40, 1
- McVoy, K. W., 1965, Rev. Mod. Phys. 37, 84
- Melvin, M. A., 1956, Rev. Mod. Phys. 28, 18
- Miller, S. C., and W. F. Love, 1967, Tables of the Irreducible Representations of Space Groups and Corepresentations of Magnetic Groups (Pruett, Boulder, Colorado)
- Miller, W., Jr., 1972, Symmetry Groups and Their Applications (Academic, New York)
- Murnaghan, F., 1938, The Theory of Group Representation (Johns Hopkins University, Baltimore)
- Neto, N., 1973, Acta Crystallogr. Sect. A 29, 464
- Neto, N., 1975, Comput. Phys. Commun. 9, 231
- Neubüser, J., 1982, Physica A 114, 493
- 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
- Rudra, P., and M. K. Sikdar, 1976, J. Math. Phys. 17, 463
- Rutherford, D. E., 1948, Substitutional Analysis (Edinburgh University, Edinburgh)
- Saharasbudhe, G. G., K. V. Dinesha, and C. R. Sarma, 1981, J. Phys. A 14, 85
- Sahni, V. C., and G. Venkataraman, 1970, Phys. Kond. Mater. 11, 199
- Sakata, I., 1974, J. Math. Phys. 15, 1702 (Part I), 1710 (Part II)
- Salam, A., 1963, in Theoretical Physics (IAEA, Vienna), p. 173
- Saulevich, L. K., D. T. Sviridov, and Yu. F. Smirnov, 1970, Kristallografiya 15, 415
- Schindler, S., and R. Mirman, 1977a, J. Math. Phys. 18, 1678
- Schindler, S., and R. Mirman, 1977b, J. Math. Phys. 18, 1697
- Schindler, S., and R. Mirman, 1978, Comput. Phys. Commun. 15, 131
- Schur, I., 1904, J. Reine Angew. Math. 127, 20
- Schur, I., 1907, J. Reine Angew. Math. 132, 85
- Schur, I., 1911, Math. Ann. 71, 355
- Seitz, F., 1936, Ann. Math. 37, 17
- Slater, J. C., 1962, Quantum Theory of Molecules and Solids, Vol. II, Symmetry and Energy Band in Crystals (McGraw-Hill, New York)
- Slater, J. C., 1965, Rev. Mod. Phys. 37, 68
- So, S. I., and D. Strottman, 1979, J. Math. Phys. 20, 153
- Statz, H., and G. F. Koster, 1959, Phys. Rev. 115, 1568
- Suffczynski, M., and H. Kunert, 1982, Physica A 114, 596
- Tao, R. B., 1983, Prog. in Phys. (in Chinese) 3, 189
- Tinkham, M., 1964, Group Theory and Quantum Mechanics (McGraw-Hill, New York), p. 41
- van den Broek, P. M., 1979a, Phys. Status Solidi B 94, 487
- van den Broek, P. M., 1979b, J. Math. Phys. 20, 2028
- van den Broek, P. M., and J. F. Cornwell, 1978, Phys. Status Solidi B 90, 211
- Weyl, H., 1950, Group Theory and Quantum Mechanics (Dover, New York)
- Wigner, E., 1959, Group Theory and Its Application to the Quantum Mechanics of Atomic Spectra (Academic, New York)
- Worlton, T. G., 1973, Comput. Phys. Commun. 6, 149
- Wu, X. B., 1984, private communication
- Wybourne, B. G., 1974, Classical Groups For Physicists (Wiley, New York)
- Zak, J., 1960, J. Math. Phys. 1, 165
- Zak, J., A. Casher, M. Glück, and Y. Gur, 1969, The Irreducible Representation of Space Groups (Benjamin, New York)
- Zheng, Q. R., 1985, master thesis, The Institute of Physics, Chinese Academy
- Zhu, C. J., and J. Q. Chen, 1984, J. Math. Phys. 24, 2266