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Element-Resolved Thermodynamics of Magnetocaloric LaFe13−xSix

Gruner, M. E. and Keune, W. and Roldan Cuenya, B. and Weis, C. and Landers, J. and Makarov, S. I. and Klar, D. and Hu, M. Y. and Alp, E. E. and Zhao, J. and Krautz, M. and Gutfleisch, O. and Wende, H. (2015):
Element-Resolved Thermodynamics of Magnetocaloric LaFe13−xSix.
In: Physical Review Letters, APS Publications, pp. 057202, 114, (5), ISSN 0031-9007,
[Online-Edition: http://dx.doi.org/10.1103/PhysRevLett.114.057202],
[Article]

Abstract

By combination of two independent approaches, nuclear resonant inelastic x-ray scattering and first-principles calculations in the framework of density functional theory, we demonstrate significant changes in the element-resolved vibrational density of states across the first-order transition from the ferromagnetic low temperature to the paramagnetic high temperature phase of LaFe13−xSix. These changes originate from the itinerant electron metamagnetism associated with Fe and lead to a pronounced magneto-elastic softening despite the large volume decrease at the transition. The increase in lattice entropy associated with the Fe subsystem is significant and contributes cooperatively with the magnetic and electronic entropy changes to the excellent magneto- and barocaloric properties.

Item Type: Article
Erschienen: 2015
Creators: Gruner, M. E. and Keune, W. and Roldan Cuenya, B. and Weis, C. and Landers, J. and Makarov, S. I. and Klar, D. and Hu, M. Y. and Alp, E. E. and Zhao, J. and Krautz, M. and Gutfleisch, O. and Wende, H.
Title: Element-Resolved Thermodynamics of Magnetocaloric LaFe13−xSix
Language: English
Abstract:

By combination of two independent approaches, nuclear resonant inelastic x-ray scattering and first-principles calculations in the framework of density functional theory, we demonstrate significant changes in the element-resolved vibrational density of states across the first-order transition from the ferromagnetic low temperature to the paramagnetic high temperature phase of LaFe13−xSix. These changes originate from the itinerant electron metamagnetism associated with Fe and lead to a pronounced magneto-elastic softening despite the large volume decrease at the transition. The increase in lattice entropy associated with the Fe subsystem is significant and contributes cooperatively with the magnetic and electronic entropy changes to the excellent magneto- and barocaloric properties.

Journal or Publication Title: Physical Review Letters
Volume: 114
Number: 5
Publisher: APS Publications
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Functional Materials
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 10 Feb 2015 09:42
Official URL: http://dx.doi.org/10.1103/PhysRevLett.114.057202
Identification Number: doi:10.1103/PhysRevLett.114.057202
Funders: Funding by the DFG via SPP1239, SPP1599 and SPP1538 is gratefully acknowledged, BRC (RUB/UCF) was funded by the US National Science Foundation (nsf-dmr 1207065), Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE (DE-AC02-06CH11357).
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