The local structure of α‐FeSi 2 under high pressure
Abstract We report the results of the high‐pressure X‐ray diffraction study and the high‐pressure extended X‐ray absorption fine structure study for α‐FeSi 2 using the synchrotron radiation sources. The bond lengths of Fe–Fe, Si–Si, and Fe–Si under pressure were refined by the Rietveld method and th...
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| Published in | physica status solidi (b) Vol. 246; no. 3; pp. 541 - 543 |
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| Main Authors | , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
01.03.2009
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| Online Access | Get full text |
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| Abstract | Abstract
We report the results of the high‐pressure X‐ray diffraction study and the high‐pressure extended X‐ray absorption fine structure study for α‐FeSi
2
using the synchrotron radiation sources. The bond lengths of Fe–Fe, Si–Si, and Fe–Si under pressure were refined by the Rietveld method and the EXAFS analysis. It is interesting that the bond length of Si–Si is almost unchanged with increasing pressure. The DV‐Xα molecular orbital calculation was carried out for the crystal structure at 34.9 GPa and shows that the highest occupied molecular orbital consists of only 3d orbital of Fe atom. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) |
|---|---|
| AbstractList | Abstract
We report the results of the high‐pressure X‐ray diffraction study and the high‐pressure extended X‐ray absorption fine structure study for α‐FeSi
2
using the synchrotron radiation sources. The bond lengths of Fe–Fe, Si–Si, and Fe–Si under pressure were refined by the Rietveld method and the EXAFS analysis. It is interesting that the bond length of Si–Si is almost unchanged with increasing pressure. The DV‐Xα molecular orbital calculation was carried out for the crystal structure at 34.9 GPa and shows that the highest occupied molecular orbital consists of only 3d orbital of Fe atom. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) |
| Author | Nakano, Hiroko Aquilanti, Giuliana Takarabe, Kenichi Udono, Haruhiko Mori, Yoshihisa Sakane, Genta |
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