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arXiv · 1902.05281

Intrinsic long range antiferromagnetic coupling in dilutely V doped CuInTe$_2$

Weiyi Gong·Ching-Him Leung·Chuen-Keung Sin·Jingzhao Zhang·Xiaodong Zhang·Bin Xi·Junyi Zhu
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Abstract

Despite the various magnetic orders mediated by superexchange mechanism, the existence of a long range antiferromagnetic (AFM) coupling is unknown. Based on DFT calculations, we discovered an intrinsic long range AFM coupling in V doped CuInTe$_2$. The AFM coupling is mainly due to the $p-d$ coupling and electron redistribution along the interacting chains. The relatively small energy difference between $p$ and $d$ orbitals and the small energy difference between d orbitals of the dopants and that of stepping stone sites can enhance the stability of this AFM configuration. A multi-bands Hubbard model was proposed to provide fundamental understanding to the long range AFM coupling in chalcopyrite diluted magnetic semiconductors(DMS).

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Weiyi Gong, Ching-Him Leung, Chuen-Keung Sin, Jingzhao Zhang, Xiaodong Zhang, Bin Xi, Junyi Zhu. 2019-02-14. Intrinsic long range antiferromagnetic coupling in dilutely V doped CuInTe$_2$. https://doi.org/10.1088/0256-307x%2F37%2F2%2F027501

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