Magnetic properties of hematite revealed by an ab initio parameterized spin model

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2023
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Deák, András
Galindez-Ruales, Edgar
Das, Shubhankar
Baek, Eunchong
Szunyogh, László
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Physical Review B. American Physical Society (APS). 2023, 107(18), 184426. ISSN 2469-9950. eISSN 2469-9969. Available under: doi: 10.1103/physrevb.107.184426
Zusammenfassung

Hematite is a canted antiferromagnetic insulator, promising for applications in spintronics. Here we present ab initio calculations of the tensorial exchange interactions of hematite and use them to understand its magnetic properties by parametrizing a semiclassical Heisenberg spin model. Using atomistic spin dynamics simulations, we calculate the equilibrium properties and phase transitions of hematite, most notably the Morin transition. The computed isotropic and Dzyaloshinskii–Moriya interactions result in a Néel temperature and weak ferromagnetic canting angle that are in good agreement with experimental measurements. Our simulations show how dipole-dipole interactions act in a delicate balance with first and higher-order on-site anisotropies to determine the material's magnetic phase. Comparison with spin-Hall magnetoresistance measurements on a hematite single crystal reveals deviations of the critical behavior at low temperatures. Based on a mean-field model, we argue that these differences result from the quantum nature of the fluctuations that drive the phase transitions.

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ISO 690DANNEGGER, Tobias, András DEÁK, Levente RÓZSA, Edgar GALINDEZ-RUALES, Shubhankar DAS, Eunchong BAEK, Mathias KLÄUI, László SZUNYOGH, Ulrich NOWAK, 2023. Magnetic properties of hematite revealed by an ab initio parameterized spin model. In: Physical Review B. American Physical Society (APS). 2023, 107(18), 184426. ISSN 2469-9950. eISSN 2469-9969. Available under: doi: 10.1103/physrevb.107.184426
BibTex
@article{Dannegger2023Magne-66943,
  year={2023},
  doi={10.1103/physrevb.107.184426},
  title={Magnetic properties of hematite revealed by an <i>ab initio</i> parameterized spin model},
  number={18},
  volume={107},
  issn={2469-9950},
  journal={Physical Review B},
  author={Dannegger, Tobias and Deák, András and Rózsa, Levente and Galindez-Ruales, Edgar and Das, Shubhankar and Baek, Eunchong and Kläui, Mathias and Szunyogh, László and Nowak, Ulrich},
  note={Article Number: 184426}
}
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