Ab-Initio Step- and Kink-Formation Energies on Pb(111)

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Ab-initio formation energies for (100)- and (111)-microfacet steps on Pb(111) are in satisfactory agreement with measured values, given that these values are known only as well as the Pb(111) surface energy; the calculated step-energy ratio, 1.29, is within {approximately}8% of experiment. In contrast, calculated kink-formation energies, 41 and 60 meV for the two step types, are 40--50% below published experimental values derived from STM images. The discrepancy results from interpreting the images with a step-stiffness vs. kink-energy relation appropriate to (100) but not (111) surfaces. Good agreement is found when the step-stiffness data are reinterpreted, taking proper account of the ... continued below

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25 p.

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Feibelman, Peter J. July 20, 2000.

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This article is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 18 times , with 6 in the last month . More information about this article can be viewed below.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM, and Livermore, CA (United States)
    Place of Publication: Albuquerque, New Mexico

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Ab-initio formation energies for (100)- and (111)-microfacet steps on Pb(111) are in satisfactory agreement with measured values, given that these values are known only as well as the Pb(111) surface energy; the calculated step-energy ratio, 1.29, is within {approximately}8% of experiment. In contrast, calculated kink-formation energies, 41 and 60 meV for the two step types, are 40--50% below published experimental values derived from STM images. The discrepancy results from interpreting the images with a step-stiffness vs. kink-energy relation appropriate to (100) but not (111) surfaces. Good agreement is found when the step-stiffness data are reinterpreted, taking proper account of the trigonal symmetry of Pb(111).

Physical Description

25 p.

Notes

OSTI as DE00759970

Medium: P; Size: 25 pages

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  • Journal Name: Physical Review B; Other Information: Submitted to Physical Review B

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  • Report No.: SAND2000-1774J
  • Grant Number: AC04-94AL85000
  • DOI: 10.1103/PhysRevB.62.17020 | External Link
  • Office of Scientific & Technical Information Report Number: 759970
  • Archival Resource Key: ark:/67531/metadc706361

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  • July 20, 2000

Added to The UNT Digital Library

  • Sept. 12, 2015, 6:31 a.m.

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  • April 10, 2017, 6:04 p.m.

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Feibelman, Peter J. Ab-Initio Step- and Kink-Formation Energies on Pb(111), article, July 20, 2000; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc706361/: accessed September 24, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.