Structural determination of a low-symmetry surface by low-energy electron diffraction and ab initio calculations: Bi(110)
(2006) In Physical Review B. Condensed Matter and Materials Physics 74.- Abstract
- he surface structure of Bi(110) has been investigated by low-energy electron diffraction (LEED) intensity analysis and by first-principles calculations. Diffraction patterns at a sample temperature of 110 K and normal incidence reveal a bulk truncated (1×1) surface without indication of any structural reconstruction despite the presence of dangling bonds on the surface layer. Good agreement is obtained between the calculated and measured diffraction intensities for this complex, low-symmetry surface containing only one mirror-plane symmetry element. No significant interlayer spacing relaxations are found. The Debye temperature for the surface layer is found to be lower than in the bulk, which is indicative of larger vibrational atomic... (More)
- he surface structure of Bi(110) has been investigated by low-energy electron diffraction (LEED) intensity analysis and by first-principles calculations. Diffraction patterns at a sample temperature of 110 K and normal incidence reveal a bulk truncated (1×1) surface without indication of any structural reconstruction despite the presence of dangling bonds on the surface layer. Good agreement is obtained between the calculated and measured diffraction intensities for this complex, low-symmetry surface containing only one mirror-plane symmetry element. No significant interlayer spacing relaxations are found. The Debye temperature for the surface layer is found to be lower than in the bulk, which is indicative of larger vibrational atomic amplitudes at the surface. Meanwhile, the second layer shows a Debye temperature close to the bulk value. The experimental results for the relaxations agree well with those of our first-principles calculation. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/954468
- author
- Sun, J ; Mikkelsen, Anders LU ; Jensen, M.F. ; Koroteev, Y.M. ; Bihlmayer, G. ; Chulkov, E.V. ; Adams, D.L. ; Hofmann, Ph. and Pohl, K
- organization
- publishing date
- 2006
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B. Condensed Matter and Materials Physics
- volume
- 74
- article number
- 245406
- publisher
- American Physical Society
- external identifiers
-
- scopus:33845286547
- DOI
- 10.1103/PhysRevB.74.245406
- language
- English
- LU publication?
- yes
- id
- be4b80cd-1096-4ea7-b6b2-b69cda3f0046 (old id 954468)
- date added to LUP
- 2016-04-04 10:08:06
- date last changed
- 2022-01-29 19:48:20
@article{be4b80cd-1096-4ea7-b6b2-b69cda3f0046, abstract = {{he surface structure of Bi(110) has been investigated by low-energy electron diffraction (LEED) intensity analysis and by first-principles calculations. Diffraction patterns at a sample temperature of 110 K and normal incidence reveal a bulk truncated (1×1) surface without indication of any structural reconstruction despite the presence of dangling bonds on the surface layer. Good agreement is obtained between the calculated and measured diffraction intensities for this complex, low-symmetry surface containing only one mirror-plane symmetry element. No significant interlayer spacing relaxations are found. The Debye temperature for the surface layer is found to be lower than in the bulk, which is indicative of larger vibrational atomic amplitudes at the surface. Meanwhile, the second layer shows a Debye temperature close to the bulk value. The experimental results for the relaxations agree well with those of our first-principles calculation.}}, author = {{Sun, J and Mikkelsen, Anders and Jensen, M.F. and Koroteev, Y.M. and Bihlmayer, G. and Chulkov, E.V. and Adams, D.L. and Hofmann, Ph. and Pohl, K}}, language = {{eng}}, publisher = {{American Physical Society}}, series = {{Physical Review B. Condensed Matter and Materials Physics}}, title = {{Structural determination of a low-symmetry surface by low-energy electron diffraction and ab initio calculations: Bi(110)}}, url = {{http://dx.doi.org/10.1103/PhysRevB.74.245406}}, doi = {{10.1103/PhysRevB.74.245406}}, volume = {{74}}, year = {{2006}}, }