Spin-fluctuation mechanism of anomalous temperature dependence of magnetocrystalline anisotropy in itinerant magnets

Abstract

The origins of the anomalous temperature dependence of magnetocrystalline anisotropy in (Fe${}_{1-x}$Co${}_x$)${}_2$B alloys are elucidated using first-principles calculations within the disordered local moment model. Excellent agreement with experimental data is obtained. The anomalies are associated with the changes in band occupations due to Stoner-like band shifts and with the selective suppression of spin-orbit "hot spots" by thermal spin fluctuations. Under certain conditions, the anisotropy can increase, rather than decrease, with decreasing magnetization due to these peculiar electronic mechanisms, which contrast starkly with those assumed in existing models.

9 pages, 10 figures (including supplemental material)

References in corpus (6)

• Constituents of magnetic anisotropy and a screening of spin-orbit coupling in solids
• Magnetic anisotropic effects and electronic correlations in MnBi ferromagnet
• Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from ab initio alloy theory
• Improvement of magnetic hardness at finite temperatures: ab initio disordered local moment approach for YCo${}_5$
• Origin of the spin reorientation transitions in (Fe${}_{1-x}$Co${}_x$)${}_2$B alloys
• Ab initio construction of magnetic phase diagrams in alloys: The case of Fe${}_{1-x}$Mn${}_x$Pt

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• Tunable dimensional crossover and magnetocrystalline anisotropy in Fe${}_2$P-based alloys
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• Structural transformation and magnetic properties of (Fe${}_{0.7}$Co${}_{0.3}$)${}_2$B alloys doped with 5$d$ elements: A combined first-principles and experimental study
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