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Mixed PbSi dimer chains on Si(1 0 0): a first-principles study

✍ Scribed by Tzu-Liang Chan; Cai-Zhuang Wang; Zhong-Yi Lu; K.-M. Ho

Publisher: Elsevier Science
Year: 2003
Tongue: English
Weight: 195 KB
Volume: 542
Category: Article
ISSN: 0039-6028
DOI: 10.1016/s0039-6028(03)00993-2

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✦ Synopsis

It has been a common belief that the one-dimensional structures observed by STM at low coverage of Pb on Si(1 0 0) are buckled Pb-Pb dimer chains. However, using first-principles density functional calculations, we found that it is energetically favorable for Pb adatoms to intermix with Si atoms to form mixed dimer chains on Si(1 0 0), instead of Pb-Pb dimer chains as assumed in previous studies. Up to a Pb coverage of 0.125 ML, mixed PbSi dimer chain is 0.19 eV per Pb atom lower in energy than Pb dimer chain.

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Mixed PbSi dimer chains on Si(1&#xa0;0&#xa0;0): a first-principles study

✦ Synopsis

Mixed PbSi dimer chains on Si(1 0 0): a first-principles study