2010
DOI: 10.1016/j.susc.2010.04.027
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Structure determination of the p3×3R30 Bi–Ag(111) surface alloy using LEED I–V and DFT analyses

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Cited by 14 publications
(13 citation statements)
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“…It is worth noting that this rumpling is inherent to the ffiffiffi 3 p X ffiffiffi 3 p R30 structure but its accurate value depends on the materials. For example, on Bi/Ag(111), a rumpling of 0.6 Å has been measured by LEED [22] and calculated by density functional theory [19]. Fig.…”
Section: Resultsmentioning
confidence: 99%
“…It is worth noting that this rumpling is inherent to the ffiffiffi 3 p X ffiffiffi 3 p R30 structure but its accurate value depends on the materials. For example, on Bi/Ag(111), a rumpling of 0.6 Å has been measured by LEED [22] and calculated by density functional theory [19]. Fig.…”
Section: Resultsmentioning
confidence: 99%
“…In the present case, the surface Debye temperature relevant for the data is rather low, not least because of the heavy Bi atoms in the alloy. 41,42 The imaginary part of the corresponding self-energy , which is equivalent to half of the inverse lifetime, can be written as…”
Section: Resultsmentioning
confidence: 99%
“…The semi-infinite Bi=Agð111Þ system comprises three regions: bulk, surface, and vacuum. The geometric relaxation at the surface has been adopted from computations with the VIENNA ab initio simulation package (VASP) [35] and is in agreement with low-energy electron diffraction measurements [36,37]. From the layer-diagonal part of the Korringa-Kohn-Rostoker Green function, we compute the layer-dependent spectral density, using a broadening of 0.025 eV typical for this kind of computation [20].…”
mentioning
confidence: 96%