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arXiv 2303.00513cond-mat.mtrl-sciphysics.comp-ph
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Cr$_2$O$_3$和$α$-Fe$_2$O$_3$中的隐藏序与(反)磁电效应

Hidden orders and (anti-)Magnetoelectric Effects in Cr$_2$O$_3$ and $α$-Fe$_2$O$_3$

Xanthe H. Verbeek, Andrea Urru, Nicola A. Spaldin

AI总结:

本文通过从头计算揭示了Cr$_2$O$_3$和$α$-Fe$_2$O$_3$中的隐藏磁电多极序,并预测了反磁电效应,证明了中心对称材料中局部线性磁电响应的存在。

摘要:

我们提出了对Cr$_2$O$_3$及其铁基类似物$α$-Fe$_2$O$_3$中隐藏磁电多极序的从头计算。首先,我们讨论了这类隐藏多极的序与线性磁电效应之间的联系。接下来,我们展示了在典型的磁电材料Cr$_2$O$_3$和中心对称的$α$-Fe$_2$O$_3$中均存在隐藏的反铁磁有序磁电多极,这两种材料具有相同的晶体结构,但磁偶极序不同。进而,我们预测了反磁电效应,即在施加外部电场时,局部磁偶极矩沿相反方向被诱导,从而产生额外的反铁磁有序。我们利用第一性原理计算证实了所预测的诱导磁矩。我们的结果表明,即使在中心对称材料中,也存在导致局部线性磁电响应的隐藏磁电多极,而在这些材料中,净体线性磁电效应因对称性而被禁止。

英文摘要:

We present ab initio calculations of hidden magnetoelectric multipolar order in Cr$_2$O$_3$ and its iron-based analogue, $α$-Fe$_2$O$_3$. First, we discuss the connection between the order of such hidden multipoles and the linear magnetoelectric effect. Next, we show the presence of hidden antiferroically-ordered magnetoelectric multipoles in both the prototypical magnetoelectric material Cr$_2$O$_3$, and centrosymmetric $α$-Fe$_2$O$_3$, which has the same crystal structure as Cr$_2$O$_3$, but a different magnetic dipolar ordering. In turn, we predict anti-magnetoelectric effects, in which local magnetic dipole moments are induced in opposite directions under the application of an external electric field, to create an additional antiferromagnetic ordering. We confirm the predicted induced moments using first-principles calculations. Our results demonstrate the existence of hidden magnetoelectric multipoles leading to local linear magnetoelectric responses even in centrosymmetric materials, where a net bulk linear magnetoelectric effect is forbidden by symmetry.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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