arXiv subjects

Hiroshi Kontani

Publications and source records attributed to Hiroshi Kontani.

At least 73 records · Page 4Linked to original sources

arXiv2016

Sign-reversing orbital polarization in the nematic phase of FeSe due to the $C_2$ symmetry-breaking in the self-energy

To understand the nematicity in Fe-based superconductors, nontrivial $k$-dependence of the orbital polarization ($ΔE_{xz}(k)$, $ΔE_{yz}(k)$) in the nematic phase, such as the sign reversal of the orbital splitting between $Γ$- and X,Y-points in FeSe, provides significant information. To solve this problem, we study the spontaneous symmetry breaking with respect to the orbital polarization and spin susceptibility self-consistently. In FeSe, due to the sign-reversing orbital order, the hole- and electron-pockets are elongated along the $k_y$- and $k_x$-axes respectively, consistently with experiments. In addition, an electron-pocket splits into two Dirac cone Fermi pockets with increasing the orbital polarization. The orbital-order in Fe-based superconductors originates from the strong positive feedback between the nematic orbital order and spin susceptibility.

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arXiv2016

Nematicity and magnetism in FeSe and other families of Fe-based superconductors

Nematicity and magnetism are two key features in Fe-based superconductors, and their interplay is one of the most important unsolved problems. In FeSe, the magnetic order is absent below the structural transition temperature $T_{str}=90$K, in stark contrast that the magnetism emerges slightly below $T_{str}$ in other families. To understand such amazing material dependence, we investigate the spin-fluctuation-mediated orbital order ($n_{xz}\neq n_{yz}$) by focusing on the orbital-spin interplay driven by the strong-coupling effect, called the vertex correction. This orbital-spin interplay is very strong in FeSe because of the small ratio between the Hund's and Coulomb interactions ($\bar{J}/\bar{U}$) and large $d_{xz},d_{yz}$-orbitals weight at the Fermi level. For this reason, in the FeSe model, the orbital order is established irrespective that the spin fluctuations are very weak, so the magnetism is absent below $T_{str}$. In contrast, in the LaFeAsO model, the magnetic order appears just below $T_{str}$ both experimentally and theoretically. Thus, the orbital-spin interplay due to the vertex correction is the key ingredient in understanding the rich phase diagram with nematicity and magnetism in Fe-based superconductors in a unified way.

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arXiv2016

$p$-orbital density wave with $d$ symmetry in high-$T_c$ cuprate superconductors predicted by the renormalization-group + constrained RPA theory

The discovery of the charge-density-wave formation in the high-$T_c$ cuprate superconductors has activated intensive theoretical studies for the pseudogap states. However, the microscopic origin of the charge-density-wave state has been unknown so far since the many-body effects beyond the mean-field-level approximations, called the vertex corrections, are essential. Toward solving this problem, we employ the recently developed functional renormalization-group method, by which we can calculate the higher-order vertex corrections in a systematic and unbiased way with high numerical accuracy. We discover the critical development of the $p$-orbital-density-wave ($p$-ODW) instability in the strong-spin-fluctuation region. The obtained $p$-ODW state possesses the key characteristics of the charge ordering pattern in Bi- and Y-based superconductors, such as the wave vector parallel to the nearest Cu-Cu direction, and the $d$-symmetry form factor with the antiphase correlation between $p_x$ and $p_y$ orbitals in the same unit cell. In addition, from the observation of the beautiful scaling relation between the spin susceptibility and the $p$-ODW susceptibility, we conclude that the main driving force of the density wave is the Aslamazov-Larkin vertex correction that becomes very singular near the magnetic quantum-critical point.

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arXiv2015

Revisit of the Orbital-Fluctuation-Mediated Superconductivity in LiFeAs: Nontrivial Spin-Orbit Interaction Effects on the Bandstructure and Superconducting Gap Function

Precise gap structure in LiFeAs (Tc = 18 K) given by ARPES studies offers us significant information to understand the pairing mechanism in iron-based superconductors. The most remarkable characteristics in LiFeAs gap structure would be that "the largest gap emerges on the tiny hole-pockets around Z point". This result had been naturally explained in terms of the orbital-fluctuation scenario (T. Saito et al., Phys. Rev. B 90, 035104 (2014)), whereas an opposite result is obtained by the spin-fluctuation scenario. In this paper, we study the gap structure in LiFeAs by taking the spin-orbit interaction (SOI) into account, motivated by the recent ARPES studies that revealed the significant SOI-induced modification of the Fermi surface topology. For this purpose, we construct the two possible tight-binding models with finite SOI by referring the bandstructures given by different ARPES groups. In addition, we extend the gap equation for multiorbital systems with finite SOI, and calculate the gap functions by applying the orbital-spin fluctuation theory. On the basis of both SOI-induced band structures, main characteristics of the gap structure in LiFeAs are naturally reproduced only in the presence of strong inter-orbital interactions between (xz/yz - xy) orbitals. Thus, the experimental gap structure in LiFeAs is a strong evidence for the orbital-fluctuation pairing mechanism.

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arXiv2015

Quasiparticle Interference in Fe-based Superconductors Based on a Five-Orbital Tight-Binding Model

We investigate the quasiparticle interference (QPI) in Fe-based superconductors in both the $s_{++}$-wave and $s_{\pm}$-wave superconducting states on the basis of the five-orbital model. In the octet model for cuprate superconductors with $d_{x^2 - y^2}$-wave state, the QPI signal due to the impurity scattering at ${q} = {k}_i - {k}_j$ ($E = | Δ( {k}_i ) |$, $i = 1 \sim 8$) disappears when the gap functions at ${k}_i$ and ${k}_j$ have the same sign. However, we show that this extinction rule does not hold in Fe-based superconductors with fully-gapped $s$-wave state. The reason is that the resonance condition $E = | Δ( {k}_i ) |$ is not satisfied under the experimental condition for Fe-based superconductors. We perform the detailed numerical study of the QPI signal using the $T$-matrix approximation, and show that the experimentally observed QPI peak around ${q}_2 = ( π, 0 )$ can be explained on the basis of both the $s_{++}$-wave and $s_{\pm}$-wave states. Furthermore, we discuss the magnetic field dependence of the QPI by considering the Zeeman effect, and find that the field-induced suppression of the peak intensity around ${q}_2$ can also be explained in terms of both the $s_{++}$-wave and $s_{\pm}$-wave states.

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arXiv2015

Spin-Fluctuation-Driven Nematic Charge-Density-Wave in Cuprate Superconductors: Impact of Aslamazov-Larkin-Type Vertex Correction

We present a microscopic derivation of the nematic charge-density-wave (CDW) formation in cuprate superconductors based on the three-orbital d-p Hubbard model, by introducing the vertex correction (VC) into the charge susceptibility. The CDW instability at $q=(Δ_{FS},0)$, $(0,Δ_{FS})$ appears when the spin fluctuations are strong, due to the strong charge-spin interference represented by the VC. Here, $Δ_{FS}$ is the wavenumber between the neighboring hot spots. The obtained spin-fluctuation-driven CDW is expressed as the "intra-unit-cell orbital order" accompanied by the charge transfer between the neighboring atomic orbitals, which is actually observed by the STM measurements. We predict that the cuprate CDW and the nematic orbital order in Fe-based superconductors are closely related spin-fluctuation-driven phenomena.

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arXiv2014

Linear Response Theory for Shear Modulus $C_{66}$ and Raman Quadrupole Susceptibility: Significant Evidence for Orbital Nematic Fluctuations in Fe-Based Superconductors

The emergence of the nematic order and fluctuations has been discussed as a central issue in Fe-based superconductors. To clarify the origin of the nematicity, we focus on the shear modulus $C_{66}$ and the Raman quadrupole susceptibility $χ_{x^2-y^2}^{Raman}$. Due to the Aslamazov-Larkin vertex correction, the nematic-type orbital fluctuations are induced, and they enhances both $1/C_{66}$ and $χ_{x^2-y^2}^{Raman}$ strongly. However, $χ_{x^2-y^2}^{Raman}$ remains finite even at the structure transition temperature $T_S$, because of the absence of the band Jahn-Teller effect and the Pauli (=intra-band) contribution, as proved in terms of the linear response theory. The present study clarifies that origin of the nematicity in Fe-based superconductors is the nematic-orbital order/fluctuations.

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arXiv2014

Spin Triplet Superconductivity in Sr2RuO4 due to Orbital and Spin Fluctuations: Analysis by Two-Dimensional Renormalization Group Theory

We study the mechanism of the triplet superconductivity in Sr2RuO4 based on the multiorbital Hubbard model. The electronic states are studied using the renormalization group method. Thanks to the vertex correction (VC) for the susceptibility, which is dropped in the mean-field-level approximations, strong orbital and spin fluctuations at $Q=(2π/3,2π/3)$ emerge in the quasi one-dimensional Fermi surfaces composed of $d_{xz}$ and $d_{yz}$ orbitals. Due to the cooperation of both fluctuations, we obtain the triplet superconductivity in the $E_u$ representation, in which the superconducting gap is given by the linear combination of $(Δ_x(k),Δ_y(k))=(\sin 3k_x,\sin 3k_y)$. These results are confirmed by a diagrammatic calculation called the self-consistent VC method.

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arXiv2014

High-Tc Superconductivity near the Anion Height Instability in Fe-based Superconductors: Analysis of LaFeAsO$_{1-x}$H$_x$

The isostructural transition in the tetragonal phase, with sizable change in the anion-height, is realized in heavily H-doped LaFeAsO and (La,P) co-doped CaFe$_2$As$_2$. In these compounds, the superconductivity with higher-Tc (40~50 K) is realized near the isostructural transition. To reveal the origin of the anion-height instability and its important role in realizing the higher-Tc state, we develop the orbital-spin fluctuation theory by including the vertex correction. It is found that the non-nematic orbital fluctuations, which induce the anion-height instability, can develop near the magnetic quantum critical point, in addition to the conventional nematic orbital fluctuations. The non-nematic orbital order triggers the isostructural transition, and its fluctuation would be a key ingredient to realize higher-Tc superconductivity of order 50 K.

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arXiv2013

Phase diagram and optical conductivity of La1.8-xEu0.2SrxCuO4

La1.8-xEu0.2SrxCuO4 (LESCO) is the member of the 214 family which exhibits the largest intervals among the structural, charge ordering (CO), magnetic, and superconducting transition temperatures. By using new dc transport measurements and data in the literature we construct the phase diagram of LESCO between x = 0.8 and 0.20. This phase diagram has been further probed in ac, by measuring the optical conductivity σ1(ω) of three single crystals with x = 0.11, 0.125, and 0.16 between 10 and 300 K in order to associate the extra-Drude peaks often observed in the 214 family with a given phase. The far-infrared peak we detect in underdoped LESCO is the hardest among them, survives up to room temperature and is associated with charge localization rather than with ordering. At the CO transition for the commensurate doping x = 0.125 instead the extra-Drude peak hardens and a pseudogap opens in σ1(ω), approximately as wide as the maximum superconducting gap of LSCO.

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arXiv2013

Zigzag chain structure transition and orbital fluctuations in Ni-based superconductors

We investigate the electronic state and structure transition of BaNi2As2, which shows a similar superconducting phase diagram as Fe-based superconductors. We construct the ten-orbital tight-binding model for BaNi2As2 by using the maximally localized Wannier function method. The Coulomb and quadrupole-quadrupole interactions are treated within the random-phase approximation. We obtain the strong developments of charge quadrupole susceptibilities driven by the in-plane and out-of-plane oscillations of Ni ions. The largest susceptibility is either O_{X^2-Y^2}-quadrupole susceptibility at q = (pi, 0, pi) or O_{XZ(YZ)}-quadrupole susceptibility at q = (pi, pi, pi), depending on the level splitting between d_{X^2-Y^2} and d_{XZ(YZ)}. These antiferro-quadrupole fluctuations would then be the origin of the strong coupling superconductivity in Ni-based superconductors. Also, we propose that the antiferro-quadrupole O_{X^2-Y^2} order with q = (pi, 0, pi) is the origin of the zigzag chain structure reported in experiments. We identify similarities and differences between Ni- and Fe-based superconductors.

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arXiv2013

Orbital Nematic Instability in Two-Orbital Hubbard Model: Renormalization-Group + Constrained RPA Analysis

Motivated by the nematic electronic fluid phase in Sr_{3}Ru_{2}O_{7}, we develop a combined scheme of the renormalization-group method and the random-phase-approximation-type method, and analyze orbital susceptibilities of the (d_{xz},d_{yz})-orbital Hubbard model with high accuracy. It is confirmed that the present model exhibits a ferro-orbital instability near the magnetic or superconducting quantum criticality, due to the Aslamazov-Larkin-type vertex corrections. This mechanism of orbital nematic order presents a natural explanation for the nematic order in Sr_{3}Ru_{2}O_{7}, and is expected to be realized in various multiorbital systems, such as Fe-based superconductors.

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arXiv2013

S-wave Superconductivity due to Orbital and Spin fluctuations in Fe-pnictides: Self-Consistent Vertex Correction with Self-Energy (SC-VCΣ) Analysis

To understand the amazing variety of the superconducting states of Fe-based superconductors, we analyze the multiorbital Hubbard models for LaFeAsO and LiFeAs going beyond the random-phase approximation (RPA), by calculating the vertex correction (VC) and self-energy correction. Due to the spin+orbital mode coupling described by the VC, both orbital and spin fluctuations mutually develop, consistently with the experimental phase diagram with the orbital and magnetic orders. Due to both fluctuations, the s-wave gap function with sign-reversal ($s_{\pm}$-wave), without sign-reversal ($s_{++}$-wave), and nodal s-wave states are obtained, compatible with the experimental wide variety of the gap structure. Thus, the present theory provides a microscopic explanation of the normal and superconducting phase diagram based on the realistic Hubbard model.

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arXiv2013

Nodal gap structure in Fe-based superconductors due to the competition between orbital and spin fluctuations

To understand the origin of the nodal gap structure realized in BaFe$_2$(As,P)$_2$, we study the three-dimensional gap structure based on the three-dimensional ten-orbital Hubbard model with quadrupole interaction. In this model, strong spin and orbital fluctuations develop by using the random-phase-approximation. By solving the Eliashberg gap equation, we obtain the fully-gapped s-wave state with (without) sign reversal between hole-like and electron-like Fermi surfaces due to strong spin (orbital) fluctuations, so called the $s_\pm$-wave ($s_{++}$-wave) state. When both spin and orbital fluctuations strongly develop, which will be realized near the orthorhombic phase, we obtain the nodal s-wave state in the crossover region between $s_{++}$-wave and $s_\pm$-wave states. The obtained nodal s-wave state possesses the loop-shape nodes on electron-like Fermi surfaces, due to the competition between attractive and repulsive interactions in k-space. In contrast, the SC gaps on the hole-like Fermi surfaces are fully-gapped due to orbital fluctuations. The present study explains the main characters of the anisotropic gap structure in BaFe$_2$(As,P)$_2$ observed experimentally.

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arXiv2013

Effect of realistic finite-size impurities on Tc in Fe-based superconductors based on the five-orbital tight-binding model

We present a systematic study of the impurity effect on Tc in Fe-based superconductors, assuming that the sign-reversal s-wave state due to inter-pocket repulsion ($s_\pm$-wave state) is realized. For this purpose, we introduce several realistic impurity models with non-local modifications of potentials and hopping integrals around the impurity site. When we use the impurity model parameters for 3d- and 4d-impurity atoms derived from the recent first principle study by Nakamura et al., we find that the $s_\pm$-wave state is very fragile against impurities: The superconductivity with $T_{c0}=30K$ is destroyed by introducing small residual resistivity $ρ_0^{cr} = 5z^{-1} ~ 10z^{-1} [μΩcm]$ ($z^{-1} = m^*/m$ being the mass-enhancement factor), consistently with the previous theoretical study for the on-site impurity model by Onari and Kontani. This result is essentially unchanged for different non-local impurity models with realistic parameters. We also discuss the effect of the impurity-induced non-local orbital order on the superconducting state.

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arXiv2013

Spin-Fluctuation-Driven Orbital Nematic Order in Ru-Oxides: Self-Consistent Vertex Correction Analysis for Two-Orbital Model

To reveal the origin of the "nematic electronic fluid phase" in Sr$_3$Ru$_2$O$_7$, we apply the self-consistent vertex correction analysis to the ($d_{xz},d_{yz}$)-orbital Hubbard model. It is found that the Aslamazov-Larkin type vertex correction causes the strong coupling between spin and orbital fluctuations, which corresponds to the Kugel-Khomskii spin-orbital coupling in the local picture. Due to this mechanism, orbital nematic order with $C_2$ symmetry is induced by the magnetic quantum criticality in multiorbital systems, while this mechanism is ignored in the random-phase-approximation. The present study naturally explains the intimate relation between the magnetic quantum criticality and the nematic state in Sr$_3$Ru$_2$O$_7$ and Fe-based superconductors.

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arXiv2012

Extrinsic Spin Hall Effect Due to Transition-Metal Impurities

We investigate the extrinsic spin Hall effect in the electron gas model due to transition-metal impurities based on the single-impurity Anderson model with orbital degrees of freedom. Both the skew scattering and side jump mechanisms are analyzed in a unified way, and the significant role of orbital degrees of freedom are clarified. The obtained spin Hall conductivities are in proportion to the spin-orbit polarization at the Fermi level ($R = $) as is the case with the intrinsic spin Hall effect: skew scattering term $σ^{ss} ~ R δ_1/ρ$, and side jump term $σ^{sj} ~ R$, where $δ_1$ is the phase shift for $p$ ($l=1$) partial wave. Furthermore, the present study indicates the existence of a nontrivial close relationship between the intrinsic term $σ^{int}$ and the extrinsic side jump term $σ^{sj}$.

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arXiv2012

Spin Hall effect in iron-based superconductors: A Dirac-point effect

We have theoretically explored the intrinsic spin Hall effect (SHE) in the iron-based superconductor family with a variety of materials. The study is motivated by an observation that, in addition to an appreciable spin-orbit coupling in the Fe 3d states, a character of the band structure in which Dirac cones appear below the Fermi energy may play a crucial role in producing a large SHE. Our investigation does indeed predict a substantially large spin Hall conductivity in the heavily hole-doped regime such as KFe$_2$As$_2$. The magnitude of the SHE has turned out to be comparable with that for Pt despite a relatively small spin-orbit coupling, which we identify to come from a huge contribution from the gap opening induced by the spin-orbit coupling at the Dirac point, which can become close to the Fermi energy for the heavy hole doping.

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