Yb基准晶和近似晶体中的晶场效应和在位轨道间相互作用
Effects of Crystalline Electronic Field and Onsite Interorbital Interaction in Yb-based Quasicrystal and Approximant Crystal
摘要：
为了深入了解最近在准晶体Yb $_{15}$ Al $_{34}$ Au $_{51}$和近似晶体（AC）Yb $_{14}$ Al $_{35}$ Au $_{51}$中发现的一种新的量子临界现象，我们讨论了在AC中Yb处的晶体电场（CEF）的性质，并表明由于Al/Au混合位的存在，在每个Yb位上会出现不均匀的CEF能级.然后通过在Yb的4f和5d轨道之间引入库仑排斥，构造了AC上电子态的极小模型。基态的数值计算表明，Yb价态的晶格常数依赖性很好地解释了最近通过在准晶和AC中Al和Au元素的系统替代所做的测量，其中准晶Yb $_{15}$ Al $_{34}$ Au $_{51}$正好位于Yb价态开始剧烈变化的点处。我们的计算令人信服地表明，这确实是证据，该材料是位于量子临界点的Yb-价跃迁。
英文摘要：
To get an insight into a new type of quantum critical phenomena recently discovered in the quasicrystal Yb$_{15}$Al$_{34}$Au$_{51}$ and approximant crystal (AC) Yb$_{14}$Al$_{35}$Au$_{51}$ under pressure, we discuss the property of the crystalline electronic field (CEF) at Yb in the AC and show that uneven CEF levels at each Yb site can appear because of the Al/Au mixed sites. Then we construct the minimal model for the electronic state on the AC by introducing the onsite Coulomb repulsion between the 4f and 5d orbitals at Yb. Numerical calculation for the ground state shows that the lattice constant dependence of the Yb valence well explains the recent measurement done by systematic substitution of elements of Al and Au in the quasicrystal and AC, where the quasicrystal Yb$_{15}$Al$_{34}$Au$_{51}$ is just located at the point from where the Yb-valence starts to change drastically. Our calculation convincingly demonstrates that this is indeed the evidence that this material is just located at the quantum critical point of the Yb-valence transition.
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