| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
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| Symposium
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Current Trends in Magnetocaloric Materials: An FMD Symposium in Honor of Ekkes Brueck
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| Presentation Title |
The Interplay of Electronic, Magnetic and Lattice Degrees of Freedom in La-Fe-Si-based Magnetocaloric Materials
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| Author(s) |
Markus Ernst Gruner |
| On-Site Speaker (Planned) |
Markus Ernst Gruner |
| Abstract Scope |
State-of-the-art magnetocaloric materials like La(Fe1-xSix)13 or FeRh are characterized by an intricate coupling between the electronic structure, magnetism and lattice degrees of freedom, which is responsible for the large entropy change occuring at a first-order metamagnetic transition. Current investigations show that first-principles calculations in the framework of density functional theory (DFT) in combination with element-resolved experimental techniques such as nuclear resonant inelastic X-ray-scattering, X-ray absorption or Mössbauer spectroscopy can resolve the contribution of specific degrees of freedom to the magnetocaloric properties [1]. This contribution will review recent DFT-based advances regarding the understanding of the interdependence between the different degrees of freedom at the first-order phase transition with a particular focus on the impact of hydrogenation on itinerant magnetism, magnetic exchange and their coupling to the vibrational properties in La-Fe-Si-based materials.<BR>
[1] F. Scheibel et al., Energy Technology 6, 1397 (2018). |
| Proceedings Inclusion? |
Undecided |