Journal article
Electrostatic forces and the frequency spectrum of a monolayer solid of linear molecules on graphite
Electrostatic energies which arise from aspherical atomic charge distributions in a graphite substrate are included in the modeling of a commensurate molecular monolayer. For the planar (two-in) herringbone lattice of nitrogen on graphite such terms may resolve a discrepancy with experimental data for the Brillouin-zone-center frequency gap.
The treatment includes consideration of a generalized (two-out) herringbone lattice and of the screening by the graphite of electrostatic fields from the multipole moments of adsorbed molecules. A small adjustment to a previous approximation for the latter process leads to stable modeling of the commensurate monolayer solid of carbon monoxide on graphite.
Language: | English |
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Year: | 1992 |
Pages: | 11238-11248 |
ISSN: | 10953795 , 01631829 , 1550235x , 10980121 and 24699950 |
Types: | Journal article |
DOI: | 10.1103/PhysRevB.45.11238 |