Surface-diffusion mechanism versus electric field: Pt/Pt(001). Feibelman, P. J. Physical Review B, 64(12):125403, September, 2001.
Paper doi abstract bibtex Ab initio calculations agree with field ion microscopy (FIM) that the barrier to substitutional diffusion of a Pt atom on Pt(001) varies linearly with external electric field, changing ∼0.1 eV per V/Å and increasing for fields oriented to push electrons into the surface. But with a computed hopping barrier remaining \textgreater0.5 eV higher than that for substitution, they contradict the idea that a change in FIM site visitation at fields of 1.5–2 V/Å and temperatures ∼265–284 K can be attributed to the onset of hopping.
@article{feibelman_surface-diffusion_2001,
title = {Surface-diffusion mechanism versus electric field: {Pt}/{Pt}(001)},
volume = {64},
shorttitle = {Surface-diffusion mechanism versus electric field},
url = {http://link.aps.org/doi/10.1103/PhysRevB.64.125403},
doi = {10.1103/PhysRevB.64.125403},
abstract = {Ab initio calculations agree with field ion microscopy (FIM) that the barrier to substitutional diffusion of a Pt atom on Pt(001) varies linearly with external electric field, changing ∼0.1 eV per V/Å and increasing for fields oriented to push electrons into the surface. But with a computed hopping barrier remaining {\textgreater}0.5 eV higher than that for substitution, they contradict the idea that a change in FIM site visitation at fields of 1.5–2 V/Å and temperatures ∼265–284 K can be attributed to the onset of hopping.},
number = {12},
urldate = {2015-05-08},
journal = {Physical Review B},
author = {Feibelman, Peter J.},
month = sep,
year = {2001},
keywords = {EFIELD, electric field, implementation, vasp},
pages = {125403},
}
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