Detailed low-energy electron diffraction analysis of the (4×4) surface structure of C60 on Cu(111): Seven-atom-vacancy reconstruction

Geng Xu, Xing-Qiang Shi, R. Q. Zhang, Woei Wu Pai, H. T. Jeng, and M. A. Van Hove
Phys. Rev. B 86, 075419 – Published 8 August 2012
PDFHTMLExport Citation

Abstract

A detailed and exhaustive structural analysis by low-energy electron diffraction (LEED) is reported for the C60-induced reconstruction of Cu(111), in the system Cu(111) + (4 × 4)-C60. A wide LEED energy range allows enhanced sensitivity to the crucial C60-metal interface that is buried below the 7-Å-thick molecular layer. The analysis clearly favors a seven-Cu-atom vacancy model (with Pendry R-factor Rp = 0.376) over a one-Cu-atom vacancy model (Rp = 0.608) and over nonreconstructed models (Rp = 0.671 for atop site and Rp = 0.536 for hcp site). The seven-Cu-atom vacancy forms a (4 × 4) lattice of bowl-like holes. In each hole, a C60 molecule can nestle by forming strong bonds (shorter than 2.30 Å) between 15 C atoms of the molecule and 12 Cu atoms of the outermost and second Cu layers.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Received 9 July 2012
  • Publisher error corrected 15 August 2012

DOI:https://doi.org/10.1103/PhysRevB.86.075419

©2012 American Physical Society

Corrections

15 August 2012

Erratum

Authors & Affiliations

Geng Xu1,2, Xing-Qiang Shi1,*, R. Q. Zhang1, Woei Wu Pai3,†, H. T. Jeng4,5, and M. A. Van Hove1,*,†

  • 1Department of Physics and Materials Science, City University of Hong Kong, Kowloon, Hong Kong, China
  • 2Physics Department, Zhongshan (Sun Yat-Sen) University, Guangzhou, China
  • 3Center for Condensed Matter Science, National Taiwan University, Taipei 106, Taiwan
  • 4Institute of Physics, Academia Sinica, Taipei, Taiwan
  • 5Department of Physics, National Tsing Hua University, Hsinchu 300, Taiwan

  • *Current address: Institute of Computational and Theoretical Studies, Hong Kong Baptist University, Kowloon, Hong Kong, China.
  • Corresponding authors: wpai@ntu.edu.tw, vanhove@hkbu.edu.hk

Article Text (Subscription Required)

Click to Expand

Supplemental Material (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 86, Iss. 7 — 15 August 2012

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×