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Electrostatic forces and the frequency spectrum of a monolayer solid of linear molecules on graphite
Author(s) -
F. Y. Hansen,
L. W. Bruch,
Sharon E. Roosevelt
Publication year - 1992
Publication title -
physical review. b, condensed matter
Language(s) - English
Resource type - Journals
eISSN - 1095-3795
pISSN - 0163-1829
DOI - 10.1103/physrevb.45.11238
Subject(s) - monolayer , graphite , brillouin zone , multipole expansion , materials science , lattice (music) , molecule , molecular physics , planar , condensed matter physics , chemical physics , atomic physics , nanotechnology , physics , quantum mechanics , composite material , computer graphics (images) , computer science , acoustics
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

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