Dipolar Alignment in an Electric Field: Effect of Lattice Arrangement
Monte Carlo calculations were carried out to elucidate the dependence of dipolar alignment in a strong electric poling field on the choice of lattice. It has been found that the lattice that provides the best alignment for a prolate-shaped chromophore is an offset tetragonal lattice (same as face-ce...
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| Veröffentlicht in: | Journal of physical chemistry. C 2008-05, Vol.112 (21), p.7836-7840 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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| Zusammenfassung: | Monte Carlo calculations were carried out to elucidate the dependence of dipolar alignment in a strong electric poling field on the choice of lattice. It has been found that the lattice that provides the best alignment for a prolate-shaped chromophore is an offset tetragonal lattice (same as face-centered tetragonal), whereas the lowest-energy lattice is a non-offset tetragonal (primitive tetragonal) lattice arrangement. |
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| ISSN: | 1932-7447 1932-7455 |
| DOI: | 10.1021/jp7113048 |