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arXiv · 1204.2419

On the large magnetic anisotropy of Fe_{2}P

Marcio Costa·Oscar Grånäs·Anders Bergman·Pedro Venezuela·Per Nordblad·Mattias Klintenberg·Olle Eriksson
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Abstract

We present an investigation on the large magnetic anisotropy of Fe_{2}P, based on {\it Ab Initio} density-functional theory calculations, with a full potential linear muffin-tin orbital (FP-LMTO) basis. We obtain an uniaxial magnetic anisotropy energy (MAE) of 664 \mu eV/f.u., which is in decent agreement with experimental observations. Based on a band structure analysis the microscopical origin of the large magnetic anisotropy is explained. We also show that by straining the crystal structure, the MAE can be enhanced further.

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Marcio Costa, Oscar Grånäs, Anders Bergman, Pedro Venezuela, Per Nordblad, Mattias Klintenberg, Olle Eriksson. 2012-04-11. On the large magnetic anisotropy of Fe_{2}P. https://doi.org/10.1103/physrevb.86.085125

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