Magnetovolume Effects in Heusler Compounds via First-Principles Calculations

J. N. Gonçalves; J. S. Amaral; V. S. Amaral

doi:10.1109/TMAG.2014.2326892

Magnetovolume Effects in Heusler Compounds via First-Principles Calculations

Materials Science 2016-12-30 v1

Authors: J. N. Gonçalves , J. S. Amaral , V. S. Amaral

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Abstract

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.

Keywords

Heusler alloys magnetovolume effects first-principles calculations density functional theory Curie temperature

Cite

@article{arxiv.1612.09133,
  title  = {Magnetovolume Effects in Heusler Compounds via First-Principles Calculations},
  author = {J. N. Gonçalves and J. S. Amaral and V. S. Amaral},
  journal= {arXiv preprint arXiv:1612.09133},
  year   = {2016}
}

Comments

INTERMAG 2014 - IEEE International Magnetics Conference, Dresden, May 5-8, 2014. 3 pages, 5 figures

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