Dynamics of xenon, krypton, and methane monolayers in registry with graphite.

作者: T. M. Hakim , H. R. Glyde , S. T. Chui

DOI: 10.1103/PHYSREVB.37.974

关键词: Atomic physicsAnharmonicityBrillouin zoneMaterials sciencePhase (matter)XenonKryptonDispersion (chemistry)PhononDispersion relation

摘要: The self-consistent phonon (SCP) theory is used to study the dynamics of monolayers xenon, krypton, and methane adsorbed on graphite. Only ..sqrt..3 x solid phase considered. It shown that energies Xe are very similar those their floating counterparts, while interaction Kr CH/sub 4/ with graphite significantly affects dispersion curves. gap in curves at center Brillouin zone computed as a function temperature. At critical temperature, goes spontaneously zero transition from locked-in commensurate takes place. This appears describe well. A simple model compared full SCP calculations. one-phonon dynamic form factor, including cubic anharmonic term, lifetimes also evaluated for 4/.

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