Magnetoelectronic properties of ferromagnetic compounds Rb2TaZ6 (Z = Cl, Br) for possible spintronic applications,International Journal of Quantum Chemistry

当前位置： X-MOL 学术 › Int. J. Quantum Chem. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Magnetoelectronic properties of ferromagnetic compounds Rb2TaZ6 (Z = Cl, Br) for possible spintronic applications
International Journal of Quantum Chemistry ( IF 2.3 ) Pub Date : 2020-06-26 , DOI: 10.1002/qua.26357
Malak Azmat Ali ₁ , G. Murtaza ₂ , Afzal Khan ₃ , Eman Algrafy _{4,

5} , Asif Mahmood ₆ , Shahid M. Ramay ₇

Affiliation

Highly spin‐polarized ferromagnetic materials are essential for efficient spintronic devices. Here, 100% spin‐polarized compounds Rb₂TaZ₆ (Z = Cl, Br) studied via density functional theory are reported. These compounds show stability in the ferromagnetic phase with cubic symmetry and half metallic behavior, thereby exhibiting a nonzero direct band gap in the spin‐down channel and zero band gap in the spin‐up configuration. The Ta‐d sates contribute mainly to the net magnetic moments as explained by the crystal field theory and density of states. High Curie temperatures of 960.35 and 1021.74 K for Ra₂TaCl₆ and Rb₂TaBr₆, along with maximum spin polarizability, make these compounds favorable for efficient spintronic applications.

中文翻译：

铁磁化合物Rb2TaZ6（Z = Cl，Br）的磁电子性质，可能用于自旋电子学

高度自旋极化的铁磁材料对于高效的自旋电子器件至关重要。此处报道了通过密度泛函理论研究的100％自旋极化化合物Rb ₂ TaZ ₆（Z = Cl，Br）。这些化合物在铁磁相中表现出稳定性，具有立方对称性和半金属行为，因此在自旋向下通道中显示出非零的直接带隙，在自旋向上配置中显示出零的带隙。在TA- d如由晶体场理论和态密度解释联署主要向净磁矩。Ra ₂ TaCl ₆和Rb ₂ TaBr _6的居里温度为960.35和1021.74 K以及最大的自旋极化率，使这些化合物适合高效自旋电子学应用。

更新日期：2020-08-29

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11