Hostname: page-component-7bb8b95d7b-495rp Total loading time: 0 Render date: 2024-09-26T00:34:02.466Z Has data issue: false hasContentIssue false
  • English
  • Français

Investigations of Bonding in Skutterudites by Electron Energy-Loss Spectroscopy

Published online by Cambridge University Press:  01 February 2011

Oystein Prytz ,
Ragnhild Saterli ,
Randi Holmestad  and
Johan Tafto
Oystein Prytz
Affiliation:
oystein.prytz@fys.uio.no, University of Oslo, Department of Physics, P.O. Box 1048 Blindern, NO-0316 Oslo, N/A, Norway
Ragnhild Saterli
Affiliation:
ragnhild.saterli@ntnu.no, NTNU, Department of Physics, NO-7491, Trondheim, N/A, Norway
Randi Holmestad
Affiliation:
randi.holmestad@ntnu.no, NTNU, Department of Physics, NO-7491, Trondheim, N/A, Norway
Johan Tafto
Affiliation:
johan.tafto@fys.uio.no, University of Oslo, Department of Physics, P.O. Box 1048 Blindern, NO-0316, Oslo, N/A, Norway
Get access

Abstract

The local electronic structure of phosphorus in the binary skutterudites CoP3 and NiP3, and in the filled skutterudite LaFe4P12 are studied using a combination of electron energy-loss spectroscopy and ab initio calculations. Relative to CoP3 we observe a filling of phosphorus s and d states in NiP3, while for LaFe4P12 increased EELS intensity indicates more empty s and d states close to the Fermi-level.

Keywords

electron energy loss spectroscopy (EELS)bondingelectronic structure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1044: Symposium U – Thermoelectric Power Generation , 2007 , 1044-U06-22
Copyright
Copyright © Materials Research Society 2008

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

[1] Keast, V. J., Scott, A. J., Brydson, R., Williams, D. B., and Bruley, J.. Electron energy-loss near-edge structure – a tool for the investigation of electronic structure on the nanometer scale. J. Microsc. 203, 135 (2001).Google Scholar
[2] Anno, H., Matsubara, K., Caillat, T., and Fleurial, J.-P.. Valence-band structure of the skutterudite compounds CoAs3, CoSb3, and RhSb3 studied by x-ray photoelectron spectroscopy. Phys. Rev. B 62, 10737 (2000).Google Scholar
[3] Grosvenor, A. P., Cavell, R. G., and Mar, A.. X-ray Photoelectron Spectroscopy Study of Rare-Earth Filled Skutterudites LaFe 4 P 12 and CeFe 4 P 12 . Chem. Mater. 18, 1650 (2006).Google Scholar
[4] Grosvenor, A. P., Cavell, R. G., and Mar, A.. X-ray photoelectron spectroscopy study of the skutterudites LaFe 4 Sb 12, CeFe 4 Sb 12, CoSb 3, and CoP 3 . Phys. Rev. B 74, 125102 (2006).Google Scholar
[5] Diplas, S., Prytz, ø., Karlsen, O. B., Watts, J. F., and TaftÕ, J.. A quantitative study of valence electron transfer in the skutterudite compound CoP 3 by combining x-ray induced Auger and photoelectron spectroscopy. J. Phys.: Cond. Mat. 19, 246216 (2007).Google Scholar
[6] Prytz, ø., TaftÕ, J., Ahn, C. C., and Fultz, B.. Transition metal d-band occupancy in skutterudites studied by electron energy-loss spectroscopy. Phys. Rev. B 75, 125109 (2007).Google Scholar
[7] Prytz, ø., Sæterli, R., Løvvik, O. M., and Taftø, J.. Comparison of the electronic structure of a thermoelectric skutterudite before and after adding rattlers: an electron energy loss study. Micron ( In press 2007).Google Scholar
[8] Leapman, R. D., Grunes, L. A., and Fejes, P. L.. Study of the L 23 edges in the 3d transition metals and their oxides by electron-energy-loss spectroscopy with comparisons to theory. Phys. Rev. B 26, 614 (1982).Google Scholar
[9] Onida, G., Reining, L., and Rubio, A.. Electronic excitations: density-functional versus many-body Green's-function approaches. Rev. Mod. Phys. 74, 601 (2002).Google Scholar
[10] Rehr, J. J., Albers, R. C.. Theoretical approaches to x-ray absorption fine structure. Rev. Mod. Phys 72, 621 (2000).Google Scholar
[11] Ankudinov, A. L., Ravel, B., Rehr, J. J., and Conradson, S. D.. Real-space multiple scattering calculation and interpretation of x-ray-absorbtion near-edge structure. Phys. Rev. B 58, 7565 (1998).Google Scholar
[12] Moreno, M. S., Jorissen, K., Rehr, J. J.. Practical aspects of electron energy-loss spectroscopy(EELS) calculations using FEFF8. Micron 38, 1 (2007).Google Scholar
[13] Dudkin, L. D.. The chemical bond in semiconducting cobalt triantimonide. Soviet Physics –Tech. Phys. 3, 216 (1958).Google Scholar