Sarma, D. D. ; Speier, W. ; Zeller, R. ; van Leuken, E. ; de Groot, R. A. ; Fuggle, J. C. (1989) The electronic structure of NiAl and NiSi Journal of Physics: Condensed Matter, 1 (46). pp. 9131-9139. ISSN 0953-8984
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Official URL: http://iopscience.iop.org/0953-8984/1/46/007
Related URL: http://dx.doi.org/10.1088/0953-8984/1/46/007
Abstract
A study of the electronic structure of NiSi and NiAl employing electron spectroscopies and theoretical calculations is presented. Experimental results, obtained with X-ray photoemission and bremsstrahlung isochromat spectroscopy, are interpreted by means of density of states and matrix element calculations for the compounds in their real crystal structure. This gives a detailed picture of the electronic states over the whole bonding-antibonding region below and above the Fermi level. Cluster calculations based on a molecular orbital approach for NiAl provide further insight into the bonding characteristics of the states of various symmetries. The authors find that the simple d-p bonding scheme used so far for the silicides, in which the metal d states are referred to as 'non-bonding', needs revision.
Item Type: | Article |
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Source: | Copyright of this article belongs to Institute of Physics. |
ID Code: | 46323 |
Deposited On: | 04 Jul 2011 06:44 |
Last Modified: | 04 Jul 2011 06:44 |
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