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<p>The anomalous transport phenomena in materials play a crucial role towards their application in emerging technologies such as spintronics, magnetic field sensors, and waste heat energy recovery systems. The anomalous transport, including the anomalous Hall and Nernst effect are driven by Berry curvature, which is a geometrical property of spin-orbit-coupled (SOC) electronic bands in the magnetic materials. The present study used <i>ab initio</i> calculations to explore the anomalous Hall and Nernst conductivities in the Co<sub>2</sub>CrAs and Co<sub>2</sub>CrSb types of Co-based ferromagnetic Heusler alloys with a net magnetic moment of 5&#xa0;<i>μ</i><sub>B</sub>. The net magnetization is oriented along the [001] direction, and the major Berry curvature originates from specific electronic states lying at the Fermi energy in the bandstructure under the SOC effect. The resultant large Berry curvature further leads to large anomalous Hall and Nernst conductivities of 584.38 (−668.99)&#xa0;S&#xa0;cm<sup>−1</sup> and A&#xa0;m<sup>−1</sup>&#xa0;K<sup>−1</sup>, respectively, for the Co<sub>2</sub>CrAs (Co<sub>2</sub>CrSb) Heusler alloy. The pronounced anomalous transport responses obtained for both alloys suggest that these materials could serve as potential candidates for emerging quantum technologies and thermoelectric applications.</p>

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An Ab Initio Study of Anomalous Transport Behavior in Ferromagnetic Co2CrAs and Co2CrSb Heusler Alloys

  • 期刊论文

  • 发表日期：

    2026年7月30日

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  • Satyam Verma,
  • Kulwinder Kumar,
  • Mukhtiyar Singh

摘要

The anomalous transport phenomena in materials play a crucial role towards their application in emerging technologies such as spintronics, magnetic field sensors, and waste heat energy recovery systems. The anomalous transport, including the anomalous Hall and Nernst effect are driven by Berry curvature, which is a geometrical property of spin-orbit-coupled (SOC) electronic bands in the magnetic materials. The present study used ab initio calculations to explore the anomalous Hall and Nernst conductivities in the Co2CrAs and Co2CrSb types of Co-based ferromagnetic Heusler alloys with a net magnetic moment of 5 μB. The net magnetization is oriented along the [001] direction, and the major Berry curvature originates from specific electronic states lying at the Fermi energy in the bandstructure under the SOC effect. The resultant large Berry curvature further leads to large anomalous Hall and Nernst conductivities of 584.38 (−668.99) S cm−1 and A m−1 K−1, respectively, for the Co2CrAs (Co2CrSb) Heusler alloy. The pronounced anomalous transport responses obtained for both alloys suggest that these materials could serve as potential candidates for emerging quantum technologies and thermoelectric applications.