Regensburg 2019 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 53: Magnetic Heuslers, half-metals and oxides

MA 53.4: Vortrag

Freitag, 5. April 2019, 10:15–10:30, H33

First principles prediction of new quaternary half-metallic ferromagnets with large Curie temperatures — Biplab Sanyal¹, •Ashis Kundu², Srikrishna Ghosh², Rudra Banerjee¹, and Subhradip Ghosh² — ¹Department of Physics and Astronomy, Uppsala University, Box 516, 75120 Uppsala, Sweden — ²Department of Physics, Indian Institute of Technology Guwahati, Guwahati-781039, Assam, India

For spintronic applications, new magnetic materials with high Curie temperatures are perpetually sought for. Here, we present first principles calculations of structural, electronic and magnetic properties of quaternary Heusler compounds CoX^′Y^′Si where X^′ is a transition metal with 4d electrons and Y^′ is either Fe or Mn. Our study finds five new half-metallic ferromagnets with spin polarisation nearly 100% with very high Curie temperatures. The variation of Curie temperatures as a function of valence electrons can be understood from the calculated inter-atomic exchange interaction parameters. A few other compounds have been identified, which could be potential half-metals with suitable application of pressure or with controlled doping. Our analysis shows that the half-metallicity in these compounds is intricately related to the arrangements of the magnetic atoms in the Heusler lattice and hence, the interatomic exchange interactions between the moments.