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Proceedings Paper

Properties of betaFeSi2 by first principles calculations
Author(s): Akira Yoshida; Kenji Tsuchiya; Akihiro Wakahara
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Paper Abstract

Strain dependence of the band structure of (beta) -FeSi2 has been investigated using first principles calculations based on the density functional theory. Indirect transition in the band structure is predicted, when the crystal is strain-free. On the other hand, the band structure changes to the direct transition, when the a-axis is expanded or c- axis is compressed. In (beta) -FeSi2 pseudomorphic layer grown on Si(100) substrate, the direct band structure is expected.

Paper Details

Date Published: 29 November 2000
PDF: 4 pages
Proc. SPIE 4086, Fourth International Conference on Thin Film Physics and Applications, (29 November 2000); doi: 10.1117/12.408421
Show Author Affiliations
Akira Yoshida, Toyohashi Univ. of Technology (Japan)
Kenji Tsuchiya, Toyohashi Univ. of Technology (Japan)
Akihiro Wakahara, Toyohashi Univ. of Technology (Japan)

Published in SPIE Proceedings Vol. 4086:
Fourth International Conference on Thin Film Physics and Applications
Junhao Chu; Pulin Liu; Yong Chang, Editor(s)

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