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Updated: Mar 12, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Computer simulation study of a mesogenic lattice model based on long-range dispersion interactions
1Physics Department, University of Pavia, via A. Bassi 6, 27100 Pavia, Italy.
Abstract:
In contrast to thermotropic biaxial nematic phases, for which some long sought for experimental realizations have been obtained, no experimental realizations are yet known for their tetrahedratic and cubatic counterparts, involving orientational orders of ranks 3 and 4, respectively, also studied theoretically over the last few decades. In previous studies, cubatic order has been found for hard-core or continuous models consisting of particles possessing cubic or nearly cubic tetragonal or orthorhombic symmetries; in a few cases, hard-core models involving uniaxial (D_{∞h}-symmetric) particles have been claimed to produce cubatic order as well. Here we address by Monte Carlo simulation a lattice model consisting of uniaxial particles coupled by long-range dispersion interactions of the London-De Boer-Heller type; the model was found to produce no second-rank nematic but only fourth-rank cubatic order, in contrast to the nematic behavior long known for its counterpart with interactions truncated at nearest-neighbor separation.
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