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Takemi Yamada

Publications and source records attributed to Takemi Yamada.

At least 19 recordsLinked to original sources
arXiv2026

Pressure-induced PT Symmetry Breaking in LaMnSi

We investigate the magnetotransport properties of the antiferromagnetic metal LaMnSi, in which the collinear magnetic order breaks both spatial inversion (P) and time-reversal (T) symmetry yet preserves their combined PT symmetry. High pressure is found to suppress this PT-symmetric antiferromagnetic phase, inducing a transition into a PT-broken state characterized by a large anomalous Hall effect. Based on symmetry analysis, we propose a candidate magnetic structure for the high-pressure phase. Subsequent band calculations for this structure reveal the emergence of band splitting and orbital-dependent spin polarization. Our results establish LaMnSi as an ideal platform for controlling PT symmetry breaking via external parameters.

cond-mat.str-el↗
arXiv2025

Anisotropic electron damping and energy gap in Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$

The many body electron-electron interaction in cuprates causes the broadening of the electronic bands in \textit{\textbf{k}}-space, leading to a deviation from the standard Fermi liquid. While a \textit{\textbf{k}}-dependent anisotropic electronic scattering (\textit{\textbf{k}}-DAES) has been assessed by photoemission, its fingerprint in \textit{\textbf{Q}}-space has been scarcely considered. Here, we explore the \textit{\textbf{Q}}-dependent electron dynamics in optimally doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ through the evolution of low-energy charge excitations as measured by resonant inelastic x ray scattering (RIXS). In the normal state, the RIXS spectra display a continuum of excitations down to 0~meV, while the superconducting state features a spectral weight suppression below 80 meV without any enhancement at higher energies. To interpret the energy and \textit{\textbf{Q}}-evolution of our data, we introduce a phenomenological expression of the charge susceptibility by including the \textit{\textbf{k}}-DAES. We show that only the charge susceptibility with \textit{\textbf{k}}-DAES captures the RIXS data, highlighting the importance of \textit{\textbf{k}}-DAES when describing the \textit{\textbf{Q}}-dependence of charge excitations from 0 to few eV scale. Furthermore, we also find that the inclusion of \textit{\textbf{k}}-DAES is essential when quantitative parameters such as the electronic energy gap are extracted from RIXS data.

cond-mat.str-el↗
arXiv2025

Observation of spin splitting in the surface electronic structure of antiferromagnet NdBi

Spin splitting in electronic band structures via antiferromagnetic orders is a new route to control spin-polarized carriers that is available for spintronics applications. Here, we investigated the spin degree of freedom in the electronic band structures of the antiferromagnet NdBi using laser-based spin- and angle-resolved photoemission spectroscopy (laser-SARPES). Our laser-SARPES experiments revealed that the two surface bands that appear in the antiferromagnetic state are spin-polarized in opposite directions as a counterpart of the spin splitting. Moreover, we observed that the spin polarization is antisymmetric to the electron momentum, indicating that spin degeneracy is lifted due the breaking of inversion symmetry at the surface. These results are well reproduced by our density functional theory calculations with the single-q magnetic structure, implying that the spin-split surface state is determined by the breaking of inversion symmetry in concert with the antiferromagnetic order.

cond-mat.mtrl-sci↗
arXiv2024

RKKY Interactions and Multipole Order in Ab initio Wannier Model of CeCoSi

We calculate the RKKY interactions derived from ab initio calculations for the intermetallic compound CeCoSi exhibiting the hidden nonmagnetic order at $T_0$ and examine the instability towards possible multipole orders within the random phase approximation. All 36 multipole interactions up to rank 5 are investigated, and the maximum susceptibility exhibits an antiferro order with $\boldsymbol{q}=\boldsymbol{0}$ for nonmagnetic multipoles of monopole $I$ and hexadecapole $H_{0}$, yielding a charge imbalance of $f$ electrons at two Ce atoms in the unit cell. The obtained order can explain some experiments.

cond-mat.str-el↗
arXiv2021

Multipolar nematic state of nonmagnetic FeSe based on the DFT+$U$

Clarifying the origin of nematic state in FeSe is one of urgent problems in the field of iron-based superconductivity. Motivated by the discovery of a nematic solution in the density-functional theory implemented by on-site Coulomb interaction (DFT+$U$) [npj Quantum Mater. \textbf{5}, 50 (2020)], we reexamine the $U$ dependence of electronic states in the nonmagnetic normal state of FeSe and perform full multipolar analyses for the nematic state. We find that with increasing $U$ the normal state experiences a topological change in the Fermi surfaces before the emergence of a nematic ground state. The resulting nematic ground state is a multipolar state having both antiferrohexadecapoles in the $E$ representation and ferromultipoles in the $B_2$ representation on each Fe site. Cooperative coupling between the $E$ and the $B_2$ multipoles in the local coordinate with the $D_{2d}$ point group will play an important role in the formation of the $d_{xz},~d_{yz}$ orbital-splitting nematic state not only in FeSe, but also in other iron pnictides.

cond-mat.str-el↗
arXiv2020

FFLO Superconductivity Mediated by Excitonic Fluctuation in Semimetallic Ta$_2$NiSe$_5$

We investigate the excitonic fluctuation and its mediated superconductivity in the quasi one-dimensional three-chain Hubbard model for Ta$_2$NiSe$_5$ known as a candidate material for the excitonic insulator. In the semiconducting case and the semimetallic case with a small band-overlapping where one conduction ($c$) band and one valence ($f$) band cross the Fermi level, the excitonic fluctuation with $\bm{q}=\bm{0}$ is enhanced due to the $c$-$f$ Coulomb interaction and diverges towards the uniform excitonic order corresponding to the excitonic insulator. On the other hands, in the semimetallic case with a large band-overlapping where two $c$ bands and one $f$ band cross the Fermi level, the non-uniform excitonic fluctuation with $\bm{q}\neq \bm{0}$ corresponding to the nesting vector between the $c$ and $f$ Fermi-surfaces (FSs) becomes dominant and results in the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) excitonic order characterized by the condensation of excitons with finite center-of-mass momentum $\bm{q}$. Near the instability, the largely enhanced excitonic fluctuations mediate the $c$-$f$ interband Cooper pairs with finite center-of-mass momentum resulting in the FFLO superconductivity, which is expected to be realized in the semimetallic Ta$_2$NiSe$_5$ under high pressure.

cond-mat.supr-con↗
arXiv2019

RKKY interactions of CeB6 based on effective Wannier model

We examine the RKKY interactions of CeB$_6$ between multipole moments based on the effective Wannier model obtained from the bandstructure calculation including 14 Ce-$f$ orbitals and 60 conduction orbitals of Ce-$d,s$ and B-$p,s$. By using the $f$-$c$ mixing matrix elements of the Wannier model together with the conduction band dispersion, the multipole couplings with the RKKY oscillation are obtained for the active moments in $Γ_{8}$ subspace. Both of the $Γ_{5g}$ quadrupole $O_{xy}$ and the $Γ_{2u}$ octupole $T_{xyz}$ couplings are largely enhanced with $\bm{q}=(π,π,π)$ which naturally explains the antiferro-quadrupolar phase of the phase II, and are also enhanced with $\bm{q}=(0,0,0)$ corresponding to the elastic softening of $C_{44}$. Also the couplings of the $Γ_{5u}$ octupole $T_{z}^β$ is quite large for $\bm{q}=(0,0,π)$ which is related to the antiferro-octupolar ordering of a possible candidate for the phase IV of Ce$_{x}$La$_{1-x}$B$_6$.

cond-mat.str-el↗
arXiv2019

Derivation of RKKY Interaction between Multipole Moments in CeB$_6$ by the Effective Wannier Model based on the Bandstructure Calculation

We have investigated the electronic states of CeB$_6$ and have directly calculated the RKKY interaction on the basis of the 74-orbital effective Wannier model which includes 14 Ce-$f$ orbitals and 60 conduction ($c$) orbitals of Ce-$d,s$ and B-$p,s$ derived from the density-functional theory bandstructure calculation. By using not only the $c$-band dispersion but also the $f$-$c$ mixing matrix elements of the Wannier model, the realistic couplings for all 15 active multipole moments in $Γ_8$ quartet subspace are obtained in the wavevector $q$-space and real-space. Both of the $Γ_{5g}$ quadrupoles $(O_{yz},O_{zx},O_{xy})$ and the $Γ_{2u}$ octupole $T_{xyz}$ couplings are maximally enhanced with $q=(π,π,π)$ which naturally explains the phase II of the antiferro-quadrupolar ordering at $T_{Q}=3.2$ K, and are also enhanced with $q=(0,0,0)$ corresponding to the elastic softening of $C_{44}$. Also the couplings of the $Γ_{5u}$ octupoles $T_{x}^β$, $T_{y}^β$ and $T_{z}^β$ are quite large for $q=(π,0,0)$, $(0,π,0)$ and $(0,0,π)$, which yields the antiferro-octupolar ordering of a possible candidate for phase IV of Ce$_{x}$La$_{1-x}$B$_6$. The intersite vector dependence of the RKKY couplings exhibit different long-range, oscillating, isotropic and anisotropic behaviors depending on the types of the multipole moments. The present approach enables us to provide the information about the possible multipole ordering in an unbiased way and is easily available for other localized $f$ electron materials once the $c$ states and $f$-$c$ mixing elements are given from the bandstructure calculation.

cond-mat.str-el↗
arXiv2018

Excitonic Phase Diagram of the Three-Chain Hubbard Model for Semiconducting and Semimetallic Ta$_2$NiSe$_5$

Transition metal chalcogenide Ta$_2$NiSe$_5$, a promising material for the excitonic insulator, is investigated on the basis of the quasi-one-dimensional three-chain Hubbard model with two conduction ($c$) bands and one valence ($f$) band. In the semimetallic case where only one of two $c$ bands and the $f$ band cross the Fermi level, the transition from the $c$-$f$ compensated semimetal to the uniform excitonic insulator takes place at low temperature as the same as in the semiconducting case. On the other hand, when another $c$ band also crosses the Fermi level, the system shows three types of Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) excitonic orders characterized by the condensation of excitons with finite center-of-mass momentum $q$ corresponding to the three types of nesting vectors between the imbalanced two $c$ and one $f$ Fermi surfaces. The obtained FFLO states are metallic in contrast to the excitonic insulator and are expected to be observed in semimetallic Ta$_2$NiSe$_5$ under high pressure.

cond-mat.str-el↗
arXiv2017

Fermi surface, pressure-induced antiferromagnetic order, and superconductivity in FeSe

The pressure dependence of the structural ($T_s$), antiferromagnetic ($T_m$), and superconducting ($T_c$) transition temperatures in FeSe is investigated on the basis of the 16-band $d$-$p$ model. At ambient pressure, a shallow hole pocket disappears due to the correlation effect, as observed in the angular-resolved photoemission spectroscopy (ARPES) and quantum oscillation (QO) experiments, resulting in the suppression of the antiferromagnetic order, in contrast to the other iron pnictides. The orbital-polarization interaction between the Fe $d$ orbital and Se $p$ orbital is found to drive the ferro-orbital order responsible for the structural transition without accompanying the antiferromagnetic order. The pressure dependence of the Fermi surfaces is derived from the first-principles calculation and is found to well account for the opposite pressure dependences of $T_s$ and $T_m$, around which the enhanced orbital and magnetic fluctuations cause the double-dome structure of the eigenvalue $λ$ in the Eliashberg equation, as consistent with that of $T_c$ in FeSe.

cond-mat.supr-con↗
arXiv2016

FFLO Excitonic State in the Three-Chain Hubbard Model for Ta$_2$NiSe$_5$

The three-chain Hubbard model for Ta$_2$NiSe$_5$ known as a candidate material for the excitonic insulator is investigated over the wide range of energy gap $D$ between the two-fold degenerate conduction bands and the nondegenerate valence band including both semiconducting ($D>0$) and semimetallic ($D<0$) cases. In the semimetallic case, the difference of the band degeneracy inevitably causes the imbalance of each Fermi wavenumber, resulting in a remarkable excitonic state characterized by the condensation of excitons with finite center-of-mass momentum $q$, the so-called Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) excitonic state. With decreasing $D$ corresponding to increasing pressure, the obtained excitonic phase diagram shows a crossover from BEC ($D\simg 0$) to BCS ($D\siml 0$) regime, and then shows a distinct phase transition at a certain critical value $D_c(<0)$ from the uniform ($q=0$) to the FFLO ($q\ne 0$) excitonic state, as expected to be observed in Ta$_2$NiSe$_5$ under high pressure.

cond-mat.str-el↗
arXiv2015

Hole-$s_{\pm}$ State Induced by Coexisting Ferro- and Aniferromagnetic and Aniferro-orbital Fluctuations in the Iron Pnictides

The multi-orbital Hubbard model is investigated in order to clarify the electron correlation effects and the superconductivity in the iron-based superconductor. The renormalization effects on the self-energy and the two-particle irreducible vertex function are calculated on the basis of the dynamical mean field theory. We find that the vertex function exhibits a strong renormalization with the significant orbital dependence as compared with the renormalization factor, when the antiferromagnetic and the antiferro-orbital fluctuations are comparably enhanced due to the electron and the hole Fermi surfaces nesting effects. The orbital-dependent vertex function together with the $q\sim0$ nesting between the two-hole Fermi surfaces results in the inter-orbital ferromagnetic fluctuation gradually enhanced which is expected to be observed in LiFeAs. We show that the hole-$s_{\pm}$-wave superconductivity with the sign change of the two-hole Fermi surfaces is realized by the enhanced ferromagnetic fluctuation accompanied by the antiferromagnetic fluctuation and the antiferro-orbital fluctuation.

cond-mat.str-el↗
arXiv2014

Metal-insulator transition and superconductivity in the two-orbital Hubbard-Holstein model for iron-based superconductors

We investigate a two-orbital model for iron-based superconductors to elucidate the effect of interplay between electron correlation and Jahn-Teller electron-phonon coupling by using the dynamical mean-field theory combined with the exact diagonalization method. When the intra- and inter-orbital Coulomb interactions, $U$ and $U'$, increase with $U=U'$, both the local spin and orbital susceptibilities, $χ_{s}$ and $χ_{o}$, increase with $χ_{s}=χ_{o}$ in the absence of the Hund's rule coupling $J$ and the electron-phonon coupling $g$. In the presence of $J$ and $g$, there are distinct two regimes: for $J \stackrel{>}{_\sim} 2g^2/ω_0$ with the phonon frequency $ω_0$, $χ_{s}$ is enhanced relative to $χ_{o}$ and shows a divergence at $J=J_c$ above which the system becomes Mott insulator, while for $J \stackrel{<}{_\sim} 2g^2/ω_0$, $χ_{o}$ is enhanced relative to $χ_{s}$ and shows a divergence at $g=g_c$ above which the system becomes bipolaronic insulator. In the former regime, the superconductivity is mediated by antiferromagnetic fluctuations enhanced due to Fermi-surface nesting and is found to be largely dependent on carrier doping. On the other hand, in the latter regime, the superconductivity is mediated by ferro-orbital fluctuations and is observed for wide doping region including heavily doped case without the Fermi-surface nesting.

cond-mat.str-el↗
arXiv2014

A High-Tc Mechanism of Iron Pnictide Superconductivity due to Cooperation of Ferro-orbital and Antiferromagnetic Fluctuations

The electronic states and superconductivity in iron pnictides are studied on the basis of the 16 band $d$-$p$ model which includes both the onsite Coulomb interaction between Fe $d$ electrons and the intersite one between Fe $d$ and pnictogen $p$ electrons. The model well accounts for experimentally observed two fluctuations: the $d$-$d$ interaction-enhanced antiferromagnetic (AFM) fluctuation and the $d$-$p$ interaction-enhanced ferro-orbital (FO) fluctuation responsible for the $C_{66}$ elastic softening. The AFM fluctuation induces the repulsive pairing interaction for $\bm{q}\sim \bm{Q}_{\rm AF}$ while the FO does the attractive one for $\bm{q}\sim \bm{0}$ resulting in the $s_{\pm}$-wave superconductivity where the two fluctuations cooperatively enhance the superconducting transition temperature $T_{c}$ without any competition by virtue of the $\bm{q}$-space segregation.

cond-mat.supr-con↗
arXiv2013

Local correlation effects on the s+-- and s++-wave superconductivities mediated by magnetic and orbital fluctuations in the 5-orbital Hubbard model for iron pnictides

We investigate the electronic state and the superconductivity in the 5-orbital Hubbard model for iron pnictides by using the dynamical mean-field theory in conjunction with the Eliashberg equation. The renormalization factor exhibits significant orbital dependence resulting in the large change in the band dispersion as observed in recent ARPES experiments. The critical interactions towards the magnetic, orbital and superconducting instabilities are suppressed as compared with those from the random phase approximation (RPA) due to local correlation effects. Remarkably, the s++-pairing phase due to the orbital fluctuation is largely expanded relative to the RPA result, while the s+--pairing phase due to the magnetic fluctuation is reduced.

cond-mat.supr-con↗
arXiv2012

Dynamical Mean-Field Study of Local Pairing Interaction Mediated by Spin and Orbital Fluctuations in Iron Pnictide Superconductors

We investigate the two-orbital Hubbard model, which reproduces the electron and hole Fermi surfaces in the iron pnictide superconductors, in the presence of the Jahn-Teller electron-phonon coupling by using the dynamical mean-field theory. When the intra- and inter-orbital Coulomb interactions, $U$ and $U'$, increase with $U=U'$, both the local spin and orbital susceptibilities, $χ_{s}$ and $χ_{o}$, increase with $χ_{s}=χ_{o}$ because of the spin-orbital symmetry. Due to the Hund's rule coupling $J$, $χ_{s}$ is enhanced and dominates over $χ_{o}$ resulting in the repulsive local pairing interaction $V_{\rm loc}>0$, while due to the electron-phonon coupling $g$, $χ_{o}$ is enhanced and dominates over $χ_{s}$ resulting in the attractive one $V_{\rm loc}<0$ which induces the intra-orbital s-wave pairing. Remarkably, $V_{\rm loc}$ is weakly dependent on doping and can be attractive for heavily electron-doped regime where the superconductivity is observed without Fermi surface nesting.

cond-mat.supr-con↗
arXiv2012

Dynamical mean-field theory for the anisotropic Kondo semiconductor: Temperature and magnetic field dependence

We investigate the periodic Anderson model with $\bm{k}$-dependent $c$-$f$ mixing reproducing the point nodes of the hybridization gap by using the dynamical mean-field theory combined with the exact diagonalization method. At low temperature below a coherence temperature $T_0$, the imaginary part of the self-energy is found to be proportional to $T^2$ and the pseudogap with two characteristic energies $\tilde{\it Δ}_1$ and $\tilde{\it Δ}_2$ is clearly observed for $T\ll T_0$, while the pseudogap is smeared with increasing $T$ and then disappears at high temperature $T \simg T_0$ due to the evolution of the imaginary self-energy. When the Coulomb interaction between $f$ electrons $U$ increases, $\tilde{\it Δ}_1$, $\tilde{\it Δ}_2$, and $T_0$ together with $T_{\rm max}$ at which the magnetic susceptibility is maximum decrease in proportion to the renormalization factor $Z$ resulting in a heavy-fermion semiconductor with a large mass enhancement $m^*/m=Z^{-1}$ for large $U$. We also examine the effect of the external magnetic field $H$ and find that the magnetization $M$ shows two metamagnetic anomalies $H_1$ and $H_2$ corresponding to $\tilde{\it Δ}_1$ and $\tilde{\it Δ}_2$ which are reduced due to the effect of $H$ together with $Z$. Remarkably, $Z^{-1}$ is found to be largely enhanced due to $H$ especially for $H_1 \siml H \siml H_2$, where the field induced heavy-fermion state is realized. The obtained results seem to be consistent with the experimental results observed in the anisotropic Kondo semiconductors such as CeNiSn.

cond-mat.str-el↗