Magnetovolume Effects in Heusler Compounds via First-Principles Calculations


Heusler alloys are promising for several applications, including magnetic refrigeration, due to high magnetocaloric and magnetovolume effects. One way to optimize this potential is by increasing the magnetovolume effect. Using density functional theory with the Korringa-Kohn-Rostoker method, we calculate the effective exchange interaction energies and corresponding mean field Curie temperature as a function of the volume (hydrostatic pressure) in several L2(1)-type Co(2)YZ Heusler alloys. Different qualitative trends and signs of the pressure derivatives of the Curie temperature and moments are found among these compounds, discussed and compared with previous calculations and experiments.




Engineering; Physics


Goncalves, JN; Amaral, JS; Amaral, VS

nossos autores


The work of J. N. Goncalves and J. S. Amaral was supported in part by the Fundacao para a Ciencia e a Tecnologia under Grant SFRH/BPD/82059/2011 and Grant SFRH/BPD/63942/2009. This work was supported in part by FEDER COMPETE, in part by the Research Project PTDC/CTM-NAN/115125/2009, in part by the EXPL/CTM-NAN/1614/2013 Project under Grant FCOMP-01-0124-FEDER-041688, and in part by the PEst-C/CTM/LA0011/2013 Project under Grant FCOMP-01-0124-FEDER-037271.

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