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Pt-induced nanowires on Ge(001): A density functional theory study

Danny Vanpoucke UGent and Geert Brocks (2010) PHYSICAL REVIEW B. 81(8).
abstract
We study formation of the nanowires formed after deposition of Pt on a Ge(001) surface. The nanowires form spontaneously after high-temperature annealing. They are thermodynamically stable, only one atom wide and up to a few hundred atoms long. Ab initio density functional theory calculations are performed to identify possible structures of the Pt-Ge(001) surface with nanowires on top. A large number of structures are studied. With nanowires that are formed out of Pt or Ge dimers or mixed Pt-Ge dimers. By comparing simulated scanning tunneling microscopy images (STM) with experimental ones we model the formation of the nanowires and identify the geometries of the different phases in the formation process. We find that the formation of nanowires on a Pt-Ge(001) surface is a complex process based on increasing the Pt density in the top layers of the Ge(001) surface. Most remarkably we find the nanowires to consist of germanium dimers placed in troughs lined by mixed Pt-Ge dimer rows.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
INSTABILITY, SYSTEM, TRANSITION, nanowires, NANOSTRUCTURES, METALS, CHAINS, germanium, simulation, platinum, SCANNING TUNNELING MICROSCOPE, density functional theory, AUGMENTED-WAVE METHOD, ATOMS, STATES
journal title
PHYSICAL REVIEW B
Phys. Rev. B
volume
81
issue
8
article_number
085410
pages
21 pages
Web of Science type
Article
Web of Science id
000275053300108
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.81.085410
language
English
UGent publication?
no
classification
A1
copyright statement
I have retained and own the full copyright for this publication
id
1109389
handle
http://hdl.handle.net/1854/LU-1109389
date created
2011-01-24 15:23:46
date last changed
2011-02-14 13:26:56
@article{1109389,
  abstract     = {We study formation of the nanowires formed after deposition of Pt on a Ge(001) surface. The nanowires form spontaneously after high-temperature annealing. They are thermodynamically stable, only one atom wide and up to a few hundred atoms long. Ab initio density functional theory calculations are performed to identify possible structures of the Pt-Ge(001) surface with nanowires on top. A large number of structures are studied. With nanowires that are formed out of Pt or Ge dimers or mixed Pt-Ge dimers. By comparing simulated scanning tunneling microscopy images (STM) with experimental ones we model the formation of the nanowires and identify the geometries of the different phases in the formation process. We find that the formation of nanowires on a Pt-Ge(001) surface is a complex process based on increasing the Pt density in the top layers of the Ge(001) surface. Most remarkably we find the nanowires to consist of germanium dimers placed in troughs lined by mixed Pt-Ge dimer rows.},
  articleno    = {085410},
  author       = {Vanpoucke, Danny and Brocks, Geert},
  issn         = {1098-0121},
  journal      = {PHYSICAL REVIEW B},
  keyword      = {INSTABILITY,SYSTEM,TRANSITION,nanowires,NANOSTRUCTURES,METALS,CHAINS,germanium,simulation,platinum,SCANNING TUNNELING MICROSCOPE,density functional theory,AUGMENTED-WAVE METHOD,ATOMS,STATES},
  language     = {eng},
  number       = {8},
  pages        = {21},
  title        = {Pt-induced nanowires on Ge(001): A density functional theory study},
  url          = {http://dx.doi.org/10.1103/PhysRevB.81.085410},
  volume       = {81},
  year         = {2010},
}

Chicago
Vanpoucke, Danny, and Geert Brocks. 2010. “Pt-induced Nanowires on Ge(001): A Density Functional Theory Study.” Physical Review B 81 (8).
APA
Vanpoucke, D., & Brocks, G. (2010). Pt-induced nanowires on Ge(001): A density functional theory study. PHYSICAL REVIEW B, 81(8).
Vancouver
1.
Vanpoucke D, Brocks G. Pt-induced nanowires on Ge(001): A density functional theory study. PHYSICAL REVIEW B. 2010;81(8).
MLA
Vanpoucke, Danny, and Geert Brocks. “Pt-induced Nanowires on Ge(001): A Density Functional Theory Study.” PHYSICAL REVIEW B 81.8 (2010): n. pag. Print.