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Transition metal d-band occupancy in skutterudites studied by electron energy-loss spectroscopy

Prytz, Ø and Taftø, J. and Ahn, C. C. and Fultz, B. (2007) Transition metal d-band occupancy in skutterudites studied by electron energy-loss spectroscopy. Physical Review B, 75 (12). Art. No. 125109. ISSN 1098-0121.

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The transition-metal 3d occupancy of a series of thermoelectric skutterudites is investigated using electron energy-loss spectroscopy. We find that bonding causes an emptying of the 3d states in the binary skutterudites CoP3, CoAs3, CoSb3, and NiP3, while compared to the pure Fe the 3d occupancy in LaFe4P12 is significantly increased, consistent with the idea that each interstitial La atom (rattler) donates three electrons to compensate for missing valence electron of Fe as compared to Co. These experimental results are in agreement with previous models suggesting a predominantly covalent bonding between transition metal and pnictogen atoms in skutterudites, and provide evidence of charge transfer from La to the Fe-P complex in LaFe4P12.

Item Type:Article
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Fultz, B.0000-0002-6364-8782
Additional Information:© 2007 The American Physical Society. (Received 18 August 2006; revised 28 November 2006; published 13 March 2007) The authors would like to acknowledge support from the University of Oslo through the FUNMAT@UiO program and the U.S. DOE through Grant No. DE-FC36-05GO15065. One of the authors Ø.P. would also like to thank Shu Miao for help with the TEM and spectrometer during his stay at Caltech.
Funding AgencyGrant Number
University of OsloUNSPECIFIED
Department of Energy (DOE)DE-FC36-05GO15065
Subject Keywords:cobalt compounds; nickel compounds; lanthanum compounds; electron energy loss spectra; bonds (chemical); charge transfer states; band structure
Issue or Number:12
Record Number:CaltechAUTHORS:PRYprb07
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:7634
Deposited By: Archive Administrator
Deposited On:15 Mar 2007
Last Modified:02 Oct 2019 23:44

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