Display options
Cite
Cieslak J, Tobola J, Dubiel SM, et al. Electronic structure of a σ-FeCr compound. J Phys Condens Matter. 2008;20(23):235234doi: 10.1088/0953-8984/20/23/235234.
Cieslak, J., Tobola, J., Dubiel, S. M., Kaprzyk, S., Steiner, W., & Reissner, M. (2008). Electronic structure of a σ-FeCr compound. Journal of physics. Condensed matter : an Institute of Physics journal, 20(23), 235234. https://doi.org/10.1088/0953-8984/20/23/235234
Cieslak, J, et al. "Electronic structure of a σ-FeCr compound." Journal of physics. Condensed matter : an Institute of Physics journal vol. 20,23 (2008): 235234. doi: https://doi.org/10.1088/0953-8984/20/23/235234
Cieslak J, Tobola J, Dubiel SM, Kaprzyk S, Steiner W, Reissner M. Electronic structure of a σ-FeCr compound. J Phys Condens Matter. 2008 Jun 11;20(23):235234. doi: 10.1088/0953-8984/20/23/235234. Epub 2008 May 09. PMID: 21694325.
Copy Download .nbib Format: NLM
Share it on

J Phys Condens Matter. 2008 Jun 11;20(23):235234. doi: 10.1088/0953-8984/20/23/235234. Epub 2008 May 09.

Electronic structure of a σ-FeCr compound.

Journal of physics. Condensed matter : an Institute of Physics journal

J Cieslak, J Tobola, S M Dubiel, S Kaprzyk, W Steiner, M Reissner

Affiliations

  1. Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, al. Mickiewicza 30, 30-059 Krakow, Poland.

PMID: 21694325 DOI: 10.1088/0953-8984/20/23/235234

Abstract

The electronic structure of a σ-FeCr compound in a paramagnetic state was calculated for the first time in terms of isomer shifts and quadrupole splittings. The former were calculated using the charge self-consistent Korringa-Kohn-Rostoker (KKR) Green's function technique, while the latter were estimated from an extended point charge model. The calculated quantities combined with recently measured site occupancies were successfully used to analyze a Mössbauer spectrum recorded at room temperature using only five fitting parameters namely background, total intensity, linewidth, IS0 (necessary to adjust the refined spectrum to the used Mössbauer source) and the QS proportionality factor. Theoretically determined changes of the isomer shift for the σ-FeCr sample were found to be in line with the corresponding ones measured on a α-FeCr sample.

Publication Types