Figure 1

The $T$-dependent FS evolution in the $\mathrm{DFT}+\mathrm{DMFT}$ calculation. The FSs are extracted from the $\mathrm{DFT}+\mathrm{DMFT}$ quasiparticle band structures at 10 K (b),(f), 20 K (c),(g), and 300 K (d),(h). For comparison, the FSs obtained from the DFT band calculation are also provided (a),(e). Because the main FSs in ${\mathrm{CeIrIn}}_5$ are nearly cylindrical due to the quasi-2D nature of its crystal structure, the FSs only on the $z=0$ and $z=\pi$ planes are shown. The FSs on these planes are identified from the dHvA frequencies because the symmetric plane provides the extremal cross section of the FS. There are two main cylindrical electron FSs represented by ${\alpha }_i$ and ${\beta }_i$ branches observed in the dHvA experiment [see (a) and (e)]. Those branches are identified at all temperature range. On the other hand, the FSs denoted as $g$, $h$ (hole FSs) and $a$, $c$ (electron FSs) in the DFT calculation manifest topological changes with varying $T$ in the $\mathrm{DFT}+\mathrm{DMFT}$ calculation. Note that $g$, $h$, $a$, $c$ branches were not identified clearly in the dHvA experiments. Color represents the different band index.Reuse & Permissions

Figure 2

The $T$-dependent dHvA frequencies (F) and cyclotron effective masses ($m^{*}$). The dHvA frequencies (a) and effective masses (b) of ${\alpha }_i$ and ${\beta }_i$ branches are obtained from the $\mathrm{DFT}+\mathrm{DMFT}$ method and compared with those from the DFT method and experiments (exp.). The corresponding FSs for each branch are provided in Figs. 1a, 1e, except ${\alpha }_1$ that corresponds to the maximum frequency among ${\alpha }_i$ branches and is located between the $z=0$ and $z=\pi$ planes. At high $T$, the cyclotron masses are very small, ranging from 0.4 to $0.7m_0$ ($m_0$ is the bare electron mass) for ${\alpha }_i$ and ${\beta }_i$ branches. Such small cyclotron masses are also reproduced in the $4f$ open-core DFT calculation, in which only dispersive $spd$ bands are crossing $E_F$. The low $T$ dHvA frequencies from the $\mathrm{DFT}+\mathrm{DMFT}$ method are consistent with the results of DFT method in which the $4f$ electrons are considered as itinerant type. (c) The renormalized $\Delta {\mathrm{F}}_i$ of each branch shows the scaling behavior of $\ln (T_0/T)$ with the characteristic $T$ of $T_0^f\sim 130\mathrm{K}$. (d) All the renormalized $\Delta m^{*}$’s show the similar scaling behavior, but with $T_0^m\sim 50\mathrm{K}$.Reuse & Permissions

Figure 3

The magnetic part ($4f$ electron contribution) of the resistivity as a function of $T$. The experimental electrical resistivity is obtained by subtracting the resistivity of ${\mathrm{LaIrIn}}_5$ from that of ${\mathrm{CeIrIn}}_5$ [5]. Insets (a), (b), and (c) show the broadening changes of spectral weights at $E_F$ at low (10 K), crossover (50 K), and high temperature (1000 K), respectively. $\Sigma$ means the direction from $M$ to $\Gamma$ in momentum space.Reuse & Permissions