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Density functional theory study of Pt-induced Ge(001) reconstructions

Danny Vanpoucke UGent and Geert Brocks (2010) PHYSICAL REVIEW B. 81(3).
abstract
Pt deposited on a Ge(001) surface spontaneously forms nanowire arrays. These nanowires are thermodynamically stable and can be hundreds of atoms long. The nanowires only occur on a reconstructed Pt-Ge-surface where they fill the troughs between the dimer rows on the surface. This unique connection between the nanowires and the underlying substrate make a thorough understanding of the latter necessary for understanding the growth of the nanowires. In this paper we study possible surface reconstructions containing 0.25 and 0.5 of a monolayer of Pt. Comparison of calculated scanning tunneling microscope (STM) images to experimental STM images of the surface reconstruction reveal that the Pt atoms are located in the top layer, creating a structure with rows of alternating Pt-Ge and Ge-Ge dimers in a c(4×2) arrangement. Our results also show that Pt atoms in the second or third layer cannot be responsible for the experimentally observed STM images.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
AUGMENTED-WAVE METHOD, GROWTH, SI(001) SURFACE, germanium, INITIO MOLECULAR-DYNAMICS, scanning tunneling microscopy, platinum, simulation, nanowires, SCANNING-TUNNELING-MICROSCOPY, density functional theory, GE(100) SURFACE, ELECTRON-DIFFRACTION
journal title
PHYSICAL REVIEW B
Phys. Rev. B
volume
81
issue
3
article_number
035333
pages
14 pages
Web of Science type
Article
Web of Science id
000274002300089
JCR category
PHYSICS, CONDENSED MATTER
JCR impact factor
3.772 (2010)
JCR rank
13/67 (2010)
JCR quartile
1 (2010)
ISSN
1098-0121
DOI
10.1103/PhysRevB.81.035333
language
English
UGent publication?
no
classification
A1
copyright statement
I have retained and own the full copyright for this publication
id
1109374
handle
http://hdl.handle.net/1854/LU-1109374
date created
2011-01-24 15:10:24
date last changed
2011-02-14 13:23:32
@article{1109374,
  abstract     = {Pt deposited on a Ge(001) surface spontaneously forms nanowire arrays. These nanowires are thermodynamically stable and can be hundreds of atoms long. The nanowires only occur on a reconstructed Pt-Ge-surface where they fill the troughs between the dimer rows on the surface. This unique connection between the nanowires and the underlying substrate make a thorough understanding of the latter necessary for understanding the growth of the nanowires. In this paper we study possible surface reconstructions containing 0.25 and 0.5 of a monolayer of Pt. Comparison of calculated scanning tunneling microscope (STM) images to experimental STM images of the surface reconstruction reveal that the Pt atoms are located in the top layer, creating a structure with rows of alternating Pt-Ge and Ge-Ge dimers in a c(4{\texttimes}2) arrangement. Our results also show that Pt atoms in the second or third layer cannot be responsible for the experimentally observed STM images.},
  articleno    = {035333},
  author       = {Vanpoucke, Danny and Brocks, Geert},
  issn         = {1098-0121},
  journal      = {PHYSICAL REVIEW B},
  keyword      = {AUGMENTED-WAVE METHOD,GROWTH,SI(001) SURFACE,germanium,INITIO MOLECULAR-DYNAMICS,scanning tunneling microscopy,platinum,simulation,nanowires,SCANNING-TUNNELING-MICROSCOPY,density functional theory,GE(100) SURFACE,ELECTRON-DIFFRACTION},
  language     = {eng},
  number       = {3},
  pages        = {14},
  title        = {Density functional theory study of Pt-induced Ge(001) reconstructions},
  url          = {http://dx.doi.org/10.1103/PhysRevB.81.035333},
  volume       = {81},
  year         = {2010},
}

Chicago
Vanpoucke, Danny, and Geert Brocks. 2010. “Density Functional Theory Study of Pt-induced Ge(001) Reconstructions.” Physical Review B 81 (3).
APA
Vanpoucke, D., & Brocks, G. (2010). Density functional theory study of Pt-induced Ge(001) reconstructions. PHYSICAL REVIEW B, 81(3).
Vancouver
1.
Vanpoucke D, Brocks G. Density functional theory study of Pt-induced Ge(001) reconstructions. PHYSICAL REVIEW B. 2010;81(3).
MLA
Vanpoucke, Danny, and Geert Brocks. “Density Functional Theory Study of Pt-induced Ge(001) Reconstructions.” PHYSICAL REVIEW B 81.3 (2010): n. pag. Print.