Permutation-inversion symmetry of C70 fullerite in the high-temperature phase |
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Authors: | V P Smirnov D A Zubok |
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Institution: | (1) St. Petersburg State Institute of Precision Mechanics and Optics, 197101 St. Petersburg, Russia |
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Abstract: | The permutation-inversion symmetry group of C70 fullerite in its high-temperature phase is constructed with allowance for the rotation of its constituent molecules, and
the local symmetry group of a rotating molecule in the crystal is identified. Irreducible representations of these groups
are constructed that are compatible with the principle of wave-function symmetry with respect to permutations of identical
nuclei. A group-theoretic classification is made of the quantum states of a rotating molecule and of the crystal in the high-temperature
phase of C70 fullerite. Selection rules are derived for electronic, vibrational, and rotational spectra in terms of irreducible representations
of the permutation-inversion symmetry group of the crystal.
Fiz. Tverd. Tela (St. Petersburg) 39, 1895–1901 (October 1997) |
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