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arXiv 2104.04245cond-mat.str-el
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具有空间调制的轨道选择性铁磁性在La$_5$Co$_2$Ge$_3$中

Spatially modulated, orbital selective ferromagnetism in La$_5$Co$_2$Ge$_3$

International Research Centre MagTop, Institute of Physics, Polish Academy of Sciences(波兰科学院物理研究所国际研究中心MagTop)

Giuseppe Cuono, Carmine Autieri, Marcin M. Wysokiński

AI总结:

研究发现La$_5$Co$_2$Ge$_3$中存在轨道选择性铁磁性,其磁矩空间调制随压力增加而增强,揭示了新的磁性态形成机制。

摘要:

我们对低临界温度金属铁磁体La$_5$Co$_2$Ge$_3$在常压和施加压力下的密度泛函理论计算进行了研究。我们的研究发现,该系统是一种准一维铁磁体,其中两个不同轨道选择性磁矩在两个晶格非等价的钴原子Co1和Co2中共存。具体来说,由于不同的晶体场分裂,Co1原子的磁矩主要来源于$d_{xz}$轨道,而Co2原子的磁矩来源于$d_{xy}$轨道。因此,Co1和Co2原子发展出不等的净磁矩,这种特征导致磁化沿晶格c方向产生周期性的空间调制。空间调制的幅度,在常压下较小,但随着施加压力的增加而急剧增加,直到Co2原子变得非磁性。通过一个玩具模型模拟发现的轨道选择性铁磁有序,我们证明了空间调制幅度的增加可以一致地解释最近观察到的在施加压力下出现的电阻率异常,该异常被识别为新状态的出现。尽管,这里提出的La$_5$Co$_2$Ge$_3$中磁矩空间调制的结构起源是该材料铁磁量子临界性回避的另一种解释,但量子涨落效应在压力大于目前测量的5GPa时仍然可能起重要作用。

英文摘要:

We present density functional theory calculations for low-$T_c$ metallic ferromagnet La$_5$Co$_2$Ge$_3$ at ambient and applied pressures. Our investigations reveal that the system is a quasi-one-dimensional ferromagnet with a peculiar coexistence of two different orbital-selective magnetic moments at two crystallographically inequivalent cobalt atoms, Co1 and Co2. Namely, due to different crystal-field splitting, the magnetic moment of Co1 atoms predominantly derives from $d_{xz}$ orbital whereas of Co2 atoms from $d_{xy}$ orbital. Consequently, Co1 and Co2 atoms develop unequal net magnetic moments, a feature that gives rise to a periodic, spatial modulation of magnetization along crystallographic $c$-direction. The amplitude of the spatial modulation, small at ambient pressure, drastically increases with applied pressure, until Co2 atoms become nonmagnetic. With the help of a toy model mimicking found orbital-selective ferromagnetic order, we demonstrate that the increasing amplitude of spatial modulation provides a consistent interpretation to the recently observed resistivity anomaly emerging at applied pressure identified as the appearance of the {\it new state}. Although, proposed here structural origin of the spatial modulation of magnetic moments in La$_5$Co$_2$Ge$_3$ is an alternative one to the advocated for this material ferromagnetic quantum criticality avoidance, the effects of quantum fluctuations can still play an important role at pressure larger than up-to-date measured 5GPa.

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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