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Main Authors: Zhu, Weiqin, Wang, Panshuo, Zhu, Haiyan, Li, Xueyang, Zhao, Jun, Xu, Changsong, Xiang, Hongjun
Format: Preprint
Published: 2024
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Online Access:https://arxiv.org/abs/2407.17859
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author Zhu, Weiqin
Wang, Panshuo
Zhu, Haiyan
Li, Xueyang
Zhao, Jun
Xu, Changsong
Xiang, Hongjun
author_facet Zhu, Weiqin
Wang, Panshuo
Zhu, Haiyan
Li, Xueyang
Zhao, Jun
Xu, Changsong
Xiang, Hongjun
contents Type-II multiferroicity, where electric polarization is induced by specific spin patterns, is crucial in fundamental physics and advanced spintronics. However, the spin model and magnetoelectric coupling mechanisms in prototypical type-II multiferroic CuFeO$_2$ and Al-doped CuFeO$_2$ remain unclear. Here, by considering both spin and alloy degrees of freedom, we develop a magnetic cluster expansion method, which considers all symmetry allowed interactions. Applying such method, we not only obtain realistic spin model that can correctly reproduce observations for both CuFeO$_2$ and CuFe$_{1-x}$Al$_x$O$_2$, but also revisit well-known theories of the original spin-current (SC) model and $p$-$d$ hybridization model. Specifically, we find that (i) a previously overlooked biquadratic interaction is critical to reproduce the $\uparrow\uparrow\downarrow\downarrow$ ground state and excited states of CuFeO$_2$; (ii) the combination of absent biquadratic interaction and increased magnetic frustration around Al dopants stabilizes the proper screw state; and (iii) it is the generalized spin-current (GSC) model that can correctly characterize the multiferroicity of CuFeO$_2$. These findings have broader implications for understanding novel magnetoelectric couplings in, e.g., monolayer multiferroic NiI$_2$.
format Preprint
id arxiv_https___arxiv_org_abs_2407_17859
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Mechanism of Type-II Multiferroicity in Pure and Al-Doped CuFeO$_2$
Zhu, Weiqin
Wang, Panshuo
Zhu, Haiyan
Li, Xueyang
Zhao, Jun
Xu, Changsong
Xiang, Hongjun
Materials Science
Strongly Correlated Electrons
Type-II multiferroicity, where electric polarization is induced by specific spin patterns, is crucial in fundamental physics and advanced spintronics. However, the spin model and magnetoelectric coupling mechanisms in prototypical type-II multiferroic CuFeO$_2$ and Al-doped CuFeO$_2$ remain unclear. Here, by considering both spin and alloy degrees of freedom, we develop a magnetic cluster expansion method, which considers all symmetry allowed interactions. Applying such method, we not only obtain realistic spin model that can correctly reproduce observations for both CuFeO$_2$ and CuFe$_{1-x}$Al$_x$O$_2$, but also revisit well-known theories of the original spin-current (SC) model and $p$-$d$ hybridization model. Specifically, we find that (i) a previously overlooked biquadratic interaction is critical to reproduce the $\uparrow\uparrow\downarrow\downarrow$ ground state and excited states of CuFeO$_2$; (ii) the combination of absent biquadratic interaction and increased magnetic frustration around Al dopants stabilizes the proper screw state; and (iii) it is the generalized spin-current (GSC) model that can correctly characterize the multiferroicity of CuFeO$_2$. These findings have broader implications for understanding novel magnetoelectric couplings in, e.g., monolayer multiferroic NiI$_2$.
title Mechanism of Type-II Multiferroicity in Pure and Al-Doped CuFeO$_2$
topic Materials Science
Strongly Correlated Electrons
url https://arxiv.org/abs/2407.17859