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MA: Fachverband Magnetismus

MA 4: Magnetic Heusler Compounds and Complex Magnetic Oxides

MA 4.1: Talk

Monday, March 18, 2024, 09:30–09:45, EB 107

Impact of d-d hybridization on the magnetic and vibrational properties of Ni(-Co)-Mn-Ti: Comparison with p-d Ni-Mn-(In,Sn) — •Olga Miroshkina1, Benedikt Eggert1, Johanna Lill1, Benedikt Beckmann2, David Koch2, Katharina Ollefs1, Franziska Scheibel2, Wolfgang Donner2, Oliver Gutfleisch2, Heiko Wende1, and Markus E. Gruner11University of Duisburg-Essen, Duisburg, Germany — 2Technical University of Darmstadt, Darmstadt, Germany

All-d-metal Heusler alloys are a new class of promising magnetocaloric materials for magnetic cooling devices. We study the effect of d-d hybridization on the magnetic and vibrational properties of Ni(-Co)-Mn-Ti in the framework of density functional theory. To retrieve traces of d-d orbital hybridization in L3-edge spectra, we compare calculated densities of states and x-ray absorption spectroscopy with the case of Ni-Mn-(In,Sn). In our recent studies for Ni-Mn-(In,Sn) [1, 2], we have shown that p-element concentration, together with positional disorder, indirectly affects the magnetic exchange between the 3d-metal atoms. This can be employed to control the magnetization of the transition metal sublattice. Comparison of Ni(-Co)-Mn-Ti with the Ni-Mn-(In,Sn) allows us to reveal the impact of d-element on magnetic characteristics. We show how the interatomic hybridization in all-d-metal Heusler compounds can be exploited as an intrinsic tuning parameter to design high-performance magnetocaloric materials.

[1] F. Cugini et al., Phys. Rev. B 105, 174434 (2022).

[2] O. Miroshkina et al., Phys. Rev. B 106, 214302 (2022).

Keywords: Heusler alloys; Density functional theory; Phonons; all-d Heusler alloys; Functional materials

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