Advanced

Investigation of surface structure related features in the multiple-scattering simulations of photoelectron diffraction of 3C-SiC(001)-c(4 x 2)

Stoltz, D.; Stoltz, Sven LU ; Widstrand, S. M. and Johansson, L. S. O. (2007) In Physica B: Condensed Matter 395(1-2). p.130-137
Abstract
In this paper we have conducted a systematic study of the photoelectron diffraction (PED) effects from the 3C-SiC(0 0 1)-c(4 x 2) surface by means of multiple-scattering calculations. Two models have been proposed to describe this surface: alternately up and down dimers (AUDD) [P. Soukiassian, F. Semond, L. Douillard, A. Mayne, G. Djuradin, L. Pizzagalli, C. Joachim, Phys. Rev. Lett. 78 (1997) 9071, based on the scanning tunneling microscopy data, and missing-row asymmetric-dimer (MRAD) [W. Lit, P. Kruger, J. Pollmann, Phys. Rev. Lett. 81 (1998) 2292], based on the total energy pseudopotential calculations. By calculating PED patterns from different emitters in these two models, we show that the surface structure induced features are... (More)
In this paper we have conducted a systematic study of the photoelectron diffraction (PED) effects from the 3C-SiC(0 0 1)-c(4 x 2) surface by means of multiple-scattering calculations. Two models have been proposed to describe this surface: alternately up and down dimers (AUDD) [P. Soukiassian, F. Semond, L. Douillard, A. Mayne, G. Djuradin, L. Pizzagalli, C. Joachim, Phys. Rev. Lett. 78 (1997) 9071, based on the scanning tunneling microscopy data, and missing-row asymmetric-dimer (MRAD) [W. Lit, P. Kruger, J. Pollmann, Phys. Rev. Lett. 81 (1998) 2292], based on the total energy pseudopotential calculations. By calculating PED patterns from different emitters in these two models, we show that the surface structure induced features are visible even in total emission diffraction patterns. For the overall diffractogram a scatterer properties of the first layer under the surface become crucial due to the backscattering at low kinetic energies. This layer is Si-layer in the MRAD model, but C-layer in the AUDD model. While this causes clear differences between the diffraction patterns of the AUDD and the MRAD models, it is shown to diminish the differences between the PED patterns of the AUDD and the other models which consist of only one monolayer of Si on top. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
single crystal, computer simulations, X-ray diffraction, scattering, surfaces, surface structure
in
Physica B: Condensed Matter
volume
395
issue
1-2
pages
130 - 137
publisher
Elsevier
external identifiers
  • wos:000246741600023
  • scopus:34247324324
ISSN
0921-4526
DOI
10.1016/j.physb.2007.03.007
language
English
LU publication?
yes
id
a62fda9a-180b-415b-9e3d-5215f688ffd2 (old id 657679)
date added to LUP
2007-12-19 10:45:08
date last changed
2017-01-01 06:57:08
@article{a62fda9a-180b-415b-9e3d-5215f688ffd2,
  abstract     = {In this paper we have conducted a systematic study of the photoelectron diffraction (PED) effects from the 3C-SiC(0 0 1)-c(4 x 2) surface by means of multiple-scattering calculations. Two models have been proposed to describe this surface: alternately up and down dimers (AUDD) [P. Soukiassian, F. Semond, L. Douillard, A. Mayne, G. Djuradin, L. Pizzagalli, C. Joachim, Phys. Rev. Lett. 78 (1997) 9071, based on the scanning tunneling microscopy data, and missing-row asymmetric-dimer (MRAD) [W. Lit, P. Kruger, J. Pollmann, Phys. Rev. Lett. 81 (1998) 2292], based on the total energy pseudopotential calculations. By calculating PED patterns from different emitters in these two models, we show that the surface structure induced features are visible even in total emission diffraction patterns. For the overall diffractogram a scatterer properties of the first layer under the surface become crucial due to the backscattering at low kinetic energies. This layer is Si-layer in the MRAD model, but C-layer in the AUDD model. While this causes clear differences between the diffraction patterns of the AUDD and the MRAD models, it is shown to diminish the differences between the PED patterns of the AUDD and the other models which consist of only one monolayer of Si on top.},
  author       = {Stoltz, D. and Stoltz, Sven and Widstrand, S. M. and Johansson, L. S. O.},
  issn         = {0921-4526},
  keyword      = {single crystal,computer simulations,X-ray diffraction,scattering,surfaces,surface structure},
  language     = {eng},
  number       = {1-2},
  pages        = {130--137},
  publisher    = {Elsevier},
  series       = {Physica B: Condensed Matter},
  title        = {Investigation of surface structure related features in the multiple-scattering simulations of photoelectron diffraction of 3C-SiC(001)-c(4 x 2)},
  url          = {http://dx.doi.org/10.1016/j.physb.2007.03.007},
  volume       = {395},
  year         = {2007},
}