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arXiv · 1905.08959

Insulator -- half metallic transition by the tetragonal distortion: A first-principles study of strain-induced perovskite RbMnF$_3$

N. Tsogbadrakh·N. Tuvjargal·Chun Feng·J. Davaasambuu·O. Tegus
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Abstract

From the spin polarized density functional total energy calculations, we shown that the ground state of cubic perovskite RbMnF$_3$ is an antiferromagnetic (AFM) insulator due to the super-exchange mechanism, in agreement with the other theoretical and experimental results. After tetragonal distortion along the c-axis, keeping the predicted volume, our results indicated that the strain-induced magnetic phase transition from an AFM insulator to a half metallic ferromagnetic (HM-FM) state is available by the tetragonal distortion due to the insulator -- half metallic transition. The predicted electronic and magnetic properties of strain-induced RbMnF$_3$ show the HM-FM nature, making strain-induced RbMnF$_3$ suitable for spintronic application.

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N. Tsogbadrakh, N. Tuvjargal, Chun Feng, J. Davaasambuu, O. Tegus. 2019-05-22. Insulator -- half metallic transition by the tetragonal distortion: A first-principles study of strain-induced perovskite RbMnF$_3$. https://arxiv.org/abs/1905.08959

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