First-Principles Calculation of the Work Functions for the High-Index Copper Surfaces

I. G. Kim, B. C. Lee and J. I. Lee ()
Additional contact information
I. G. Kim: Department of Physics, Inha University, Incheon 402-751, Republic of Korea
B. C. Lee: Department of Physics, Inha University, Incheon 402-751, Republic of Korea
J. I. Lee: Department of Physics, Inha University, Incheon 402-751, Republic of Korea

Surface Review and Letters (SRL), 2003, vol. 10, issue 02n03, 207-211

Abstract: We calculated the work functions (WFs) for the high-index copper surfaces, (112), (321), and (413), as well as the low-index surfaces, (111), (100), and (110), using the full-potential linearized augmented plane wave (FLAPW) method within both the local density approximation (LDA) and the generalized gradient approximation (GGA). It is found that the GGA lowers rigidly the WFs about 0.46–0.49 eV from the values obtained by the LDA, for all the surfaces, and the experimental values for low-index surfaces are in between the calculated values by the LDA and GGA. It is also found that the WF does not decrease further, for the surfaces with higher indices than (112). This result is different from that of the recent measurements by the Kelvin probe technique [Appl. Phys. Lett.79, 4337 (2001)], which shows a linear dependence of WF on the atomic packing density. The result of our calculation is consistent with the WF anisotropy model, which was recently applied to tungsten surfaces.

Date: 2003
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.worldscientific.com/doi/abs/10.1142/S0218625X03004949
Access to full text is restricted to subscribers

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:wsi:srlxxx:v:10:y:2003:i:02n03:n:s0218625x03004949

Ordering information: This journal article can be ordered from

DOI: 10.1142/S0218625X03004949

Access Statistics for this article

Surface Review and Letters (SRL) is currently edited by S Y Tong

More articles in Surface Review and Letters (SRL) from World Scientific Publishing Co. Pte. Ltd.
Bibliographic data for series maintained by Tai Tone Lim ().