Effects of crystalline electronic field and onsite interorbital interaction in Yb-based quasicrystal and approximant...

To get an insight into a new type of quantum critical phenomena recently discovered in the quasicrystal Yb₁₅Al₃₄Au₅₁ and approximant crystal (AC) Yb₁₄Al₃₅Au₅₁ 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 calculations 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 Yb₁₅Al₃₄Au₅₁ 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.