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017 _ _ |a This version is available at the following Publisher URL: http://prb.aps.org
024 7 _ |a 10.1103/PhysRevB.72.085410
|2 DOI
024 7 _ |a WOS:000231564600137
|2 WOS
024 7 _ |a 2128/1418
|2 Handle
037 _ _ |a PreJuSER-46652
041 _ _ |a eng
082 _ _ |a 530
084 _ _ |2 WoS
|a Physics, Condensed Matter
100 1 _ |a Mönig, H.
|b 0
|0 P:(DE-HGF)0
245 _ _ |a Structure of the (111) surface of bismuth: LEED analysis and first-principles calculations
260 _ _ |a College Park, Md.
|b APS
|c 2005
300 _ _ |a 085410
336 7 _ |a Journal Article
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336 7 _ |a article
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440 _ 0 |a Physical Review B
|x 1098-0121
|0 4919
|v 72
500 _ _ |a Record converted from VDB: 12.11.2012
520 _ _ |a The surface structure of Bi(111) was investigated by low-energy electron diffraction (LEED) intensity analysis for temperatures between 140 and 313 K and by first-principles calculations. The diffraction pattern reveals a (1x1) surface structure and LEED intensity versus energy simulations confirm that the crystal is terminated with a Bi bilayer. Excellent agreement is obtained between the calculated and measured diffraction intensities in the whole temperature range. The first interlayer spacing shows no significant relaxation at any temperature while the second interlayer spacing expands slightly. The Debye temperatures deduced from the optimized atomic vibrational amplitudes for the two topmost layers are found to be significantly lower than in the bulk. The experimental results for the relaxations agree well with those of our first-principles calculation.
536 _ _ |a Kondensierte Materie
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542 _ _ |i 2005-08-03
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|u http://link.aps.org/licenses/aps-default-license
588 _ _ |a Dataset connected to Web of Science
650 _ 7 |a J
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700 1 _ |a Sun, J.
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700 1 _ |a Koroteev, S. B.
|b 2
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700 1 _ |a Bihlmayer, G.
|b 3
|u FZJ
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700 1 _ |a Wells, J.
|b 4
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700 1 _ |a Chulkov, E. V.
|b 5
|0 P:(DE-HGF)0
700 1 _ |a Pohl, K.
|b 6
|0 P:(DE-HGF)0
700 1 _ |a Hofmann, Ph.
|b 7
|0 P:(DE-HGF)0
773 1 8 |a 10.1103/physrevb.72.085410
|b American Physical Society (APS)
|d 2005-08-03
|n 8
|p 085410
|3 journal-article
|2 Crossref
|t Physical Review B
|v 72
|y 2005
|x 1098-0121
773 _ _ |a 10.1103/PhysRevB.72.085410
|g Vol. 72, p. 085410
|p 085410
|n 8
|q 72<085410
|0 PERI:(DE-600)2844160-6
|t Physical review / B
|v 72
|y 2005
|x 1098-0121
856 7 _ |u http://dx.doi.org/10.1103/PhysRevB.72.085410
|u http://hdl.handle.net/2128/1418
856 4 _ |u https://juser.fz-juelich.de/record/46652/files/73791.pdf
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|t Calculated Electronic Properties of Metals
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