On the orientational relief of the intermolecular potential and the structure of domain walls in fullerite C60

Автор(и)

  • Julia M. Khalack Bogolyubov Institute for Theoretical Physics of the NAS of Ukraine 14b Metrologichna Str., Kyiv-143, 03143 Ukraine
  • Vadim M. Loktev Bogolyubov Institute for Theoretical Physics of the NAS of Ukraine 14b Metrologichna Str., Kyiv-143, 03143 Ukraine

DOI:

https://doi.org/10.1063/1.1542507

Ключові слова:

PACS: 61.48. c, 78.30.Na

Анотація

A simple planar model for an orientational ordering of threefold molecules on a triangular lattice modeling a close-packed (111) plane of fullerite is considered. The system has 3-sublattice ordered ground state which includes 3 different molecular orientations. There exist 6 kinds of orientational domains, which are related with a permutation or a mirror symmetry. Interdomain walls are found to be rather narrow. The model molecules have two-well orientational potential profiles, which are slightly effected by a presence of a straight domain wall. The reason is a stronger correlation between neighbor molecules in the triangular lattice versus the square lattice previously considered. A considerable reduction (up to one order) of the orientational interwell potential barrier is found in the core regions of essentially two-dimentional potential defects, such as a three-domain boundary or a kink in the domain wall. For ultimately uncorrelated nearest neighbors the height of the interwell barrier can be reduced even by a factor of 102.

Завантаження

Дані завантаження ще не доступні.

Downloads

Опубліковано

2003-04-08

Як цитувати

(1)
Khalack, J. M.; Loktev, V. M. On the Orientational Relief of the Intermolecular Potential and the Structure of Domain Walls in Fullerite C60. Fiz. Nizk. Temp. 2003, 29, 577-589.

Номер

Розділ

Динаміка кристалічної гратки

Статті цього автора (авторів), які найбільше читають