相关莫特绝缘体 Ca2RuO4 中新出现的新相。

IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Journal of Physics: Condensed Matter Pub Date : 2024-11-19 DOI:10.1088/1361-648X/ad906d
Giuseppe Cuono, Filomena Forte, Alfonso Romano, Canio Noce
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引用次数: 0

摘要

莫特绝缘体 Ca2RuO4 是过渡金属氧化物中的一个典型例子,其中电荷、自旋、轨道和晶格自由度的相互作用导致了相互竞争的量子相。在本文中,我们将重点讨论并回顾一些关键方面,从基本物理框架及其基本特性,到最近旨在利用几个外部参数和刺激触发非常规量子基态的理论研究工作。通过第一原理计算,我们证明 Ca2RuO4 在倒数空间显示出自旋分裂,并将其确定为一种变磁候选材料。这种非相对论自旋分裂具有轨道选择性,由局部晶体学对称性决定。接下来,我们考虑了两种可能引发奇异量子态的途径。第一种是用异价 3d3 离子取代 4d4Ru 的过渡金属。这种置换掺杂可能会改变自旋轨道相关性,从而有利于负热膨胀的出现。第二条路线是探索在外加电场影响下的非平衡稳态中出现的萌芽状态。我们的研究表明,电场可以直接影响轨道密度,最终导致强烈的轨道波动和轨道不平衡的抑制,这反过来又可能降低反铁磁性。这些方面表明,这种材料可能具有实际应用价值,因为它的独特性质可能为增强现有技术、超越传统材料的局限性提供了可能性。
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Emerging new phases in correlated Mott insulator Ca2RuO4.

The Mott insulator Ca2RuO4is a paradigmatic example among transition metal oxides, where the interplay of charge, spin, orbital, and lattice degrees of freedom leads to competing quantum phases. In this paper, we focus on and review some key aspects, from the underlying physical framework and its basic properties, to recent theoretical efforts that aim to trigger unconventional quantum ground states, using several external parameters and stimuli. Using first-principle calculations, we demonstrate that Ca2RuO4shows a spin splitting in the reciprocal space, and identify it as an altermagnetic candidate material. The non relativistic spin-splitting has an orbital selective nature, dictated by the local crystallographic symmetry. Next, we consider two routes that may trigger exotic quantum states. The first one corresponds to transition metal substitution of the 4d4Ru with isovalent 3d3ions. This substitutional doping may alter the spin-orbital correlations favoring the emergence of negative thermal expansion. The second route explores fledgling states arising in a non-equilibrium steady state under the influence of an applied electric field. We show that the electric field can directly affect the orbital density, eventually leading to strong orbital fluctuations and the suppression of orbital imbalance, which may, in turn, reduce antiferromagnetism. These aspects suggest possible practical applications, as its unique properties may open up possibilities for augmenting existing technologies, surpassing the limitations of conventional materials.

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来源期刊
Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter 物理-物理:凝聚态物理
CiteScore
5.30
自引率
7.40%
发文量
1288
审稿时长
2.1 months
期刊介绍: Journal of Physics: Condensed Matter covers the whole of condensed matter physics including soft condensed matter and nanostructures. Papers may report experimental, theoretical and simulation studies. Note that papers must contain fundamental condensed matter science: papers reporting methods of materials preparation or properties of materials without novel condensed matter content will not be accepted.
期刊最新文献
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