A novel half-metallic family of materials, the multiple Dirac cones half-metals, has received considerable interest from researchers. Benefiting from its novel electronic structure, they are promising candidates for ultra-performance spintronic devices. In this paper, we propose a new half-metallic material, perovskite-type [Formula: see text] HoMnO3, which possesses similar Dirac-like multiple linear band crosses. We investigated its electronic, magnetic and thermodynamic properties in detail on the basis of density functional theory. The excellent band structures are robust enough against spin-orbit coupling and electron and hole doping. Through calculations, we confirmed its multi-aspect stability. Based on the current study, we confirm that HoMnO3 has potential for next-generation spintronic applications.

中文翻译：

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基于 DFT 的 HoMnO3 的电子、磁性和热力学性质研究：一种具有近线性带交叉的半金属材料

一种新型的半金属材料家族，即多个狄拉克锥半金属，引起了研究人员的极大兴趣。得益于其新颖的电子结构，它们有望成为超高性能自旋电子器件的候选者。在本文中，我们提出了一种新的半金属材料，钙钛矿型 [分子式：见正文] HoMnO3，它具有类似的狄拉克式多线性带交叉。我们在密度泛函理论的基础上详细研究了它的电子、磁性和热力学性质。优异的能带结构足以抵抗自旋轨道耦合以及电子和空穴掺杂。通过计算，我们确认了它的多方面稳定性。根据目前的研究，我们确认 HoMnO3具有下一代自旋电子应用的潜力。