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@ARTICLE{Yu:57546,
author = {Yu, D. K. and Bonzel, D. I. and Scheffler, M.},
title = {{T}he stability of vicinal surfaces and the equilibrium
crystal shape of {P}b by first principles theory},
journal = {New journal of physics},
volume = {8},
issn = {1367-2630},
address = {[Bad Honnef]},
publisher = {Dt. Physikalische Ges.},
reportid = {PreJuSER-57546},
pages = {65},
year = {2006},
note = {Record converted from VDB: 12.11.2012},
abstract = {The orientation-dependent surface energies of fcc Pb for
more than 30 vicinal orientations, distributed over the
[110] and [001] zones of the stereographic triangle, have
been studied by density-functional theory. For
bulk-truncated structures almost all vicinal surfaces are
found to be unstable and would facet into (111) and (100)
orientations. However, after surface relaxation, all vicinal
surfaces are stable relative to faceting into (111) and
(100) orientations. There are also regions of relaxed
vicinal surfaces which will facet into nearby stable vicinal
surfaces. Overall, surface relaxation significantly affects
the equilibrium crystal shape (ECS) of Pb. In both the [110]
and [001] crystallographic zones the (110), (112), (221),
and (023) facets are found on the ECS only after relaxation,
in addition to (111) and (100). This result is in agreement
with the experimental ECS of Pb at 353 K. Step formation
energies for various vicinal orientations are estimated from
facet diameters of the theoretical ECS and compared with
experimental data.},
keywords = {J (WoSType)},
cin = {ISG-3},
ddc = {530},
cid = {I:(DE-Juel1)VDB43},
pnm = {Kondensierte Materie},
pid = {G:(DE-Juel1)FUEK414},
shelfmark = {Physics, Multidisciplinary},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000237293800004},
doi = {10.1088/1367-2630/8/5/065},
url = {https://juser.fz-juelich.de/record/57546},
}