Materials combining strong ferromagnetism and good semiconducting properties are highly desirable for spintronic applications (e.g., in spin-filtering devices). In this work, we conduct a search for concentrated ferromagnetic semiconductors through high-throughput computational screening. Our screening reveals the limited availability of semiconductors combining ferromagnetism and a low effective mass. We identify the manganese pyrochlore oxide In₂Mn₂O₇ as especially promising for spin transport as it combines low electron effective mass (0.29 m₀), a large exchange splitting of the conduction band (1.1 eV), stability in air, and a Curie temperature (about 130 K) among the highest of concentrated ferromagnetic semiconductors. We rationalise the high performance of In₂Mn₂O₇ by the unique combination of a pyrochlore lattice favouring ferromagnetism with an adequate alignment of O–2p, Mn–3d, and In–5s forming a dispersive conduction band while enhancing the Curie temperature.

对于自旋电子学应用（例如，在自旋过滤设备中），非常需要具有强铁磁性和良好半导体性能的材料。在这项工作中，我们通过高通量计算筛选来寻找集中的铁磁半导体。我们的筛选揭示了结合铁磁性和低有效质量的半导体的有限可用性。我们发现锰烧绿石氧化物In ₂ Mn ₂ O ₇特别适合自旋运输，因为它结合了较低的电子有效质量（0.29  m ₀），在最高浓度的铁磁半导体中，导带的交换交换较大（1.1 eV），在空气中的稳定性和居里温度（约130 K）。我们通过有利于铁磁性的烧绿石晶格与O–2 p，Mn–3 d和In–5 s的充分排列形成了分散的导带，同时增强了铁磁性的烧绿石晶格的独特组合，使In ₂ Mn ₂ O ₇的高性能合理化。居里温度。