Using first-principles calculations to investigate rare-earth/transition-metal interactions in hard magnetic materials: transition metal substitution and temperature-dependent magnetic anisotropy
Christopher E. Patrick* and Julie B. Staunton
Date & Time: 14:00 - 15:00, November 12th (Mon), 2018.
Place: 8F Medium Seminar Room(#811-812), Sengen.
Abstract:
The excellent hard magnetic properties of compounds containing rare earths and transition metals (RE-TM) can be attributed to the successful combination of the high Curie temperature/volume magnetizations of elemental TMs with the potentially huge magnetic anisotropy of REs. Here I will present work performed as part of a joint theory/experiment project exploring the fundamental physics of RE-TM magnets, using first-principles calculations based on density-functional theory and modelling finite temperature effects within the disordered local moment picture [1]. In particular I will focus on RECo_{5-x}TM_x compounds, with TM = Fe, Ni and Cu [2]. I will also share recent work on calculating finite temperature anisotropy in RECo_5 compounds [3] with a view to obtaining, e.g., spin reorientation transition temperatures.
[1] B. L. Gyorffy et al., J.Phys. F 15, 1337, (1985)
[2] C. E. Patrick, S. Kumar et al., Phys. Rev. Mat. 1, 024411 (2017);
C. E. Patrick, M. Matsumoto and J. B. Staunton, submitted (2018);
A. L. Tedstone et al., in preparation (2018)
[3] C. E. Patrick et al., Phys. Rev. Lett. 120, 097202 (2018)
*This work was performed as part of the PRETAMAG project, led by Professor J. B. Staunton. PRETAMAG is funded by the United Kingdom Engineering and Physical Sciences Research Council, grant number EP/M028941/1.
[1] B. L. Gyorffy et al., J.Phys. F 15, 1337, (1985)
[2] C. E. Patrick, S. Kumar et al., Phys. Rev. Mat. 1, 024411 (2017);
C. E. Patrick, M. Matsumoto and J. B. Staunton, submitted (2018);
A. L. Tedstone et al., in preparation (2018)
[3] C. E. Patrick et al., Phys. Rev. Lett. 120, 097202 (2018)
*This work was performed as part of the PRETAMAG project, led by Professor J. B. Staunton. PRETAMAG is funded by the United Kingdom Engineering and Physical Sciences Research Council, grant number EP/M028941/1.