Low-temperature orientational ordering and possible domain structures in C₆₀

Based on a simple model for the ordering of hexagons on a square planar lattice, an attempt is made to consider the possible 
 structure of С₆₀ fullerite in its low-temperature phase. It is shown that hexagons representing fullerenes oriented along the С₃ axes of the sc lattice can be ord...

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Veröffentlicht in:Физика низких температур
Datum:2001
Hauptverfasser: Loktev, V. M., Khalack, J.N., Pogorelov, Y.G.
Format: Artikel
Sprache:Englisch
Veröffentlicht: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2001
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Online Zugang:https://nasplib.isofts.kiev.ua/handle/123456789/128588
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Zitieren:Low-temperature orientational ordering and possible domain structures in C₆₀ / V.M. Loktev, J.N. Khalack, Y.G. Pogorelov // Физика низких температур. — 2001. — Т. 27, № 5. — С. 539-546. — Бібліогр.: 18 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine
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author Loktev, V. M.
Khalack, J.N.
Pogorelov, Y.G.
author_facet Loktev, V. M.
Khalack, J.N.
Pogorelov, Y.G.
citation_txt Low-temperature orientational ordering and possible domain structures in C₆₀ / V.M. Loktev, J.N. Khalack, Y.G. Pogorelov // Физика низких температур. — 2001. — Т. 27, № 5. — С. 539-546. — Бібліогр.: 18 назв. — англ.
collection DSpace DC
container_title Физика низких температур
description Based on a simple model for the ordering of hexagons on a square planar lattice, an attempt is made to consider the possible 
 structure of С₆₀ fullerite in its low-temperature phase. It is shown that hexagons representing fullerenes oriented along the С₃ axes of the sc lattice can be ordered into an ideal structure with four nonequivalent molecules in the unit cell. Then the energy degeneracy for the rotation of each hexagon by π/3 around its С₃ axis leaves the translational and orientational order in this structure but leads to a random distribution of π/3 rotations and hence to an “averaged” unit cell with two molecules. However, the most relevant structural defects are not these intrinsic “misorientations” but some walls between domains with different sequences of the above-mentioned two (nonideal) sublattices. Numerical estimates are made for the anisotropic intermolecular potential, showing that the anisotropy is noticeably smaller for molecules in walls than in domains.
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publishDate 2001
publisher Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
record_format dspace
spelling Loktev, V. M.
Khalack, J.N.
Pogorelov, Y.G.
2018-01-12T16:36:25Z
2018-01-12T16:36:25Z
2001
Low-temperature orientational ordering and possible domain structures in C₆₀ / V.M. Loktev, J.N. Khalack, Y.G. Pogorelov // Физика низких температур. — 2001. — Т. 27, № 5. — С. 539-546. — Бібліогр.: 18 назв. — англ.
0132-6414
PACS: 61.48.+c, 78.30.Na
https://nasplib.isofts.kiev.ua/handle/123456789/128588
Based on a simple model for the ordering of hexagons on a square planar lattice, an attempt is made to consider the possible 
 structure of С₆₀ fullerite in its low-temperature phase. It is shown that hexagons representing fullerenes oriented along the С₃ axes of the sc lattice can be ordered into an ideal structure with four nonequivalent molecules in the unit cell. Then the energy degeneracy for the rotation of each hexagon by π/3 around its С₃ axis leaves the translational and orientational order in this structure but leads to a random distribution of π/3 rotations and hence to an “averaged” unit cell with two molecules. However, the most relevant structural defects are not these intrinsic “misorientations” but some walls between domains with different sequences of the above-mentioned two (nonideal) sublattices. Numerical estimates are made for the anisotropic intermolecular potential, showing that the anisotropy is noticeably smaller for molecules in walls than in domains.
en
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
Физика низких температур
Физические свойства криокристаллов
Low-temperature orientational ordering and possible domain structures in C₆₀
Article
published earlier
spellingShingle Low-temperature orientational ordering and possible domain structures in C₆₀
Loktev, V. M.
Khalack, J.N.
Pogorelov, Y.G.
Физические свойства криокристаллов
title Low-temperature orientational ordering and possible domain structures in C₆₀
title_full Low-temperature orientational ordering and possible domain structures in C₆₀
title_fullStr Low-temperature orientational ordering and possible domain structures in C₆₀
title_full_unstemmed Low-temperature orientational ordering and possible domain structures in C₆₀
title_short Low-temperature orientational ordering and possible domain structures in C₆₀
title_sort low-temperature orientational ordering and possible domain structures in c₆₀
topic Физические свойства криокристаллов
topic_facet Физические свойства криокристаллов
url https://nasplib.isofts.kiev.ua/handle/123456789/128588
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AT khalackjn lowtemperatureorientationalorderingandpossibledomainstructuresinc60
AT pogorelovyg lowtemperatureorientationalorderingandpossibledomainstructuresinc60