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DC Field | Value | Language |
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dc.contributor.author | Narasimhan, Shobhana | - |
dc.date.accessioned | 2012-03-07T06:43:15Z | - |
dc.date.available | 2012-03-07T06:43:15Z | - |
dc.date.issued | 2001-09-22 | - |
dc.identifier | 0169-4332 | en_US |
dc.identifier.citation | Applied Surface Science 182(3-4), 293-296 (2001) | en_US |
dc.identifier.uri | https://libjncir.jncasr.ac.in/xmlui/10572/579 | - |
dc.description | Restricted Access | en_US |
dc.description.abstract | The interrelationship between surface structure and vibrations is explored for the case of unreconstructed (1 1 0) surfaces of face-centered-cubic (fcc) metals, which show anomalous thermal behavior in the anisotropies of surface vibrations and the change with temperature of interlayer spacings. I present the results of ab initio density functional theory calculations on Ag(1 1 0), Cu(1 1 0) and Al(1 1 0) to investigate this. These anomalous properties are shown to result from a huge enhancement in the coupling between the first and third layers of atoms. Though this may appear to be a counter-intuitive result, it can be justified using simple geometric arguments. (C) 2001 Elsevier Science B.V. All rights reserved. | en_US |
dc.description.uri | http://dx.doi.org/10.1016/S0169-4332(01)00416-0 | en_US |
dc.language.iso | en | en_US |
dc.publisher | Elsevier Science BV | en_US |
dc.rights | © 2001 Elsevier Science BV | en_US |
dc.subject | density functional calculations | en_US |
dc.subject | surface relaxation | en_US |
dc.subject | phonons | en_US |
dc.subject | silver | en_US |
dc.subject | copper | en_US |
dc.subject | aluminum | en_US |
dc.subject | low index single crystal surfaces | en_US |
dc.title | Ab initio calculations on the anomalous thermal behaviour of fcc(110) surfaces | en_US |
dc.type | Article | en_US |
Appears in Collections: | Research Articles (Shobhana Narasimhan) |
Files in This Item:
File | Description | Size | Format | |
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2001 Applied Surface Science 182 293-296.pdf Restricted Access | 79.18 kB | Adobe PDF | View/Open Request a copy |
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