title: Effect of particle-hole symmetry on the behavior of tracer and jump diffusion coefficients.
abstract: This paper analyzes the effect of particle-hole symmetry on the behavior of the tracer diffusion coefficient as well as the jump diffusion coefficient. The coefficients are obtained by performing a random walk of individual atoms in a two-dimensional square lattice at monolayer, using the n-fold way Monte Carlo simulation. Different hopping mechanisms have been introduced to study the effect of particle-hole symmetry. For hopping kinetics where the initial-state interactions are involved, the diffusion coefficient at high coverage falls several orders of magnitude due to the effect of particle-hole symmetry. For hopping kinetics where the final-state interactions are present, the effect is the opposite. For those involving both initial- and final-state interactions, like the so-called interaction kinetics, the effect of particle-hole symmetry is also discussed. This effect seems to be critical for repulsive lateral interactions, for which the behavior of the diffusion coefficients is modified by introducing the particle-hole symmetry condition.
authors.affiliation: Departamento de Física, Instituto de Física Aplicada (INFAP)-CONICET, Universidad Nacional de San Luis, Chacabuco 917, 5700 San Luis, Argentina.
authors.forename: J J
authors.initials: JJ
authors.lastname: Torrez Herrera
authors.forename: G A
authors.initials: GA
authors.lastname: Ranzuglia
authors.forename: S J
authors.initials: SJ
authors.lastname: Manzi
authors.forename: V D
authors.initials: VD
authors.lastname: Pereyra
mesh_terms: D003198:Computer Simulation; D004058:Diffusion; D008956:Models, Chemical; D008958:Models, Molecular; D015233:Models, Statistical; D009010:Monte Carlo Method; D010316:Particle Size; D011789:Quantum Theory