Electronic structure and bonding properties in TiSi2

Weijs, P. J. W. ; Czyżyk, M. T. ; Fuggle, J. C. ; Speier, W. ; Sarma, D. D. ; Buschow, K. H. J. (1990) Electronic structure and bonding properties in TiSi2 Zeitschrift für Physik B: Condensed Matter, 78 (3). pp. 423-430. ISSN 0722-3277

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Official URL: http://www.springerlink.com/content/r7m34q22572245...

Related URL: http://dx.doi.org/10.1007/BF01313324

Abstract

Both occupied and unoccupied electronic states of TiSi2 have been studied by a variety of electron and X-ray spectroscopies as well by electronic structure calculations. The data allows us to build up a detailed picture of the site and symmetry selected, partial densities of states. We show that the metal d states contribute to silicide chemical bonding, by distortion of the Si p state distribution. We also point out evidence that the Si s states give a significant contribution to the chemical bonding.

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