arXiv subjects

Akito Kobayashi

Publications and source records attributed to Akito Kobayashi.

At least 19 recordsLinked to original sources

arXiv2026

Strain-Tuned Nodal Superconductivity in the Charge-Ordered Kagome Metal CsV$_3$Sb$_5$

The nature of the superconducting pairing symmetry in the kagome metal CsV$_3$Sb$_5$ and its relationship with the charge density wave (CDW) order are central unresolved issues. Here, we investigate the evolution of superconductivity in CsV$_3$Sb$_5$ under in-situ uniaxial pressure using $^{121}$Sb nuclear quadrupole resonance (NQR). We find that tensile strain significantly enhances the superconducting transition temperature, $T_{\rm c}$, while the CDW remains unchanged, demonstrating that superconductivity can be tuned independently of the bulk charge order. At a tensile strain of $\varepsilon$ = +0.90%, the nuclear spin-lattice relaxation rate reveals a remarkable double transition: an upper transition at $T_{\rm c1}$ = 3.6 K to a nodal gap state, and a lower one at $T_{\rm c2}$ = 3.0 K characterized by a nodeless gap. These results evidence degenerate superconducting states with different gap symmetry in the kagome metal at ambient pressure which split under strain. Our work demonstrates a high tunability of superconductivity by uniaxial pressure.

cond-mat.supr-con↗

arXiv2024

Compensated Ferrimagnets with Colossal Spin Splitting in Organic Compounds

The study of the magnetic order has recently been invigorated by the discovery of exotic collinear antiferromagnets with time-reversal symmetry breaking. Examples include altermagnetism and compensated ferrimagnets, which show spin splittings of the electronic band structures even at zero net magnetization, leading to several unique transport phenomena, notably spin-current generation. Altermagnets demonstrate anisotropic spin splitting, such as $d$-wave, in momentum space, whereas compensated ferrimagnets exhibit isotropic spin splitting. However, methods to realize compensated ferrimagnets are limited. Here, we demonstrate a method to realize a fully compensated ferrimagnet with isotropic spin splitting utilizing the dimer structures inherent in organic compounds. Moreover, based on $ab$ $initio$ calculations, we find that this ferrimagnet can be realized in the recently discovered organic compound (EDO-TTF-I)$_2$ClO$_4$. Our findings provide an unprecedented strategy for using the dimer degrees of freedom in organic compounds to realize fully compensated ferrimagnets with colossal spin splitting.

cond-mat.mtrl-sci↗

arXiv2024

Fragment-orbital-dependent spin fluctuations in the single-component molecular conductor [Ni(dmdt)$_2$]

Motivated by recent nuclear magnetic resonance experiments, we calculated the spin susceptibility, Knight shift, and spin-lattice relaxation rate ($1/T_{1}T$) of the single-component molecular conductor [Ni(dmdt)$_2$] using the random phase approximation in a multi-orbital Hubbard model describing the Dirac nodal line electronic system in this compound. This Hubbard model is composed of three fragment orbitals and on-site repulsive interactions obtained using ab initio many-body perturbation theory calculations. We found fragment-orbital-dependent spin fluctuations with the momentum $\textbf{q}$=$\textbf{0}$ and an incommensurate value of the wavenumber $\textbf{q}$=$\textbf{Q}$ at which a diagonal element of the spin susceptibility is maximum. The $\textbf{q}$=$\textbf{0}$ and $\textbf{Q}$ responses become dominant at low and high temperatures, respectively, with the Fermi-pocket energy scale as the boundary. We show that $1/T_{1}T$ decreases with decreasing temperature but starts to increase at low temperature owing to the $\textbf{q}$=$\textbf{0}$ spin fluctuations, while the Knight shift keeps monotonically decreasing. These properties are due to the intra-molecular antiferromagnetic fluctuations caused by the characteristic wave functions of this Dirac nodal line system, which is described by an $n$-band ($n\geq 3$) model. We show that the fragment orbitals play important roles in the magnetic properties of [Ni(dmdt)$_2$].

cond-mat.str-el↗

arXiv2024

H-wave -- A Python package for the Hartree-Fock approximation and the random phase approximation

H-wave is an open-source software package for performing the Hartree--Fock approximation (HFA) and random phase approximation (RPA) for a wide range of Hamiltonians of interacting fermionic systems. In HFA calculations, H-wave examines the stability of several symmetry-broken phases, such as anti-ferromagnetic and charge-ordered phases, in the given Hamiltonians at zero and finite temperatures. Furthermore, H-wave calculates the dynamical susceptibilities using RPA to examine the instability toward the symmetry-broken phases. By preparing a simple input file for specifying the Hamiltonians, users can perform HFA and RPA for standard Hamiltonians in condensed matter physics, such as the Hubbard model and its extensions. Additionally, users can use a Wannier90-like format to specify fermionic Hamiltonians. A Wannier90 format is implemented in RESPACK to derive ab initio Hamiltonians for solids. HFA and RPA for the ab initio Hamiltonians can be easily performed using H-wave. In this paper, we first explain the basis of HFA and RPA, and the basic usage of H-wave, including download and installation. Thereafter, the input file formats implemented in H-wave, including the Wannier90-like format for specifying the interacting fermionic Hamiltonians, are discussed. Finally, we present several examples of H-wave such as zero-temperature HFA calculations for the extended Hubbard model on a square lattice, finite-temperature HFA calculations for the Hubbard model on a cubic lattice, and RPA in the extended Hubbard model on a square lattice.

cond-mat.str-el↗

arXiv2023

Gap opening mechanism for correlated Dirac electrons in organic compounds $α$-(BEDT-TTF)$_2$I$_3$ and $α$-(BEDT-TSeF)$_2$I$_3$

To determine how electron correlations open a gap in two-dimensional massless Dirac electrons in the organic compounds $α$-(BEDT-TTF)$_2$I$_3$ [$α$-(ET)$_2$I$_3$] and $α$-(BEDT-TSeF)$_2$I$_3$ [$α$-(BETS)$_2$I$_3$], we derive and analyze $ab$ $initio$ low-energy effective Hamiltonians for these two compounds. We find that the horizontal stripe charge ordering opens a gap in the massless Dirac electrons in $α$-(ET)$_2$I$_3$, while an insulating phase without explicit symmetry breaking appears in $α$-(BETS)$_2$I$_3$. We clarify that the combination of the anisotropic transfer integrals and the electron correlations induces a dimensional reduction in the spin correlations, i.e., one-dimensional spin correlations develop in $α$-(BETS)$_2$I$_3$. We show that the one-dimensional spin correlations open a gap in the massless Dirac electrons. Our finding paves the way for opening gaps for massless Dirac electrons using strong electronic correlations.

cond-mat.str-el↗

arXiv2022

Possible Spin-Density Wave on Fermi Arc of Edge State in Single-Component Molecular Conductors [Pt(dmdt)$_2$] and [Ni(dmdt)$_2$]

We construct three-orbital tight-binding models describing single-component molecular conductors [Pt(dmdt)$_2$] and [Ni(dmdt)$_2$] using first-principles calculations. We show that [Ni(dmdt)$_2$] is a Dirac nodal line system with highly one-dimensional edge states at the (001) edge, similar to [Pt(dmdt)$_2$], as demonstrated in prior studies. To investigate possible edge magnetism, we calculate longitudinal and transverse spin susceptibilities using real-space-dependent random-phase approximation (RPA) in three-orbital Hubbard models in the presence of spin--orbit coupling. We find that the edge spin-density wave (SDW) is induced by the Coulomb repulsion and incommensurate nestings of the Fermi arcs. We also find that the magnetic structure of the edge SDW can be changed via extremely small carrier doping, which is controllable in molecular conductors.

cond-mat.str-el↗

arXiv2022

Interaction-induced quantum spin Hall insulator in the organic Dirac electron system $α$-(BEDT-TSeF)$_2$I$_3$

Focusing on the recently-discovered candidate topological insulator $α$-(BEDT-TSeF)$_2$I$_3$ -- having two-dimensional charge-neutral Dirac cones in a low symmetry lattice -- we combine ab-initio and extended-Hubbard model calculations to deal with spin-orbit and non-local repulsive interactions, and find a realization of an interaction-induced quantum spin Hall (QSH) insulator, similar to the one proposed in the honeycomb lattice under next-nearest neighbor repulsions. In the absence of repulsive interactions, a topological insulator appears by the spin-orbit coupling and is characterized by a nonzero spin Chern number. By considering up to next-nearest neighbor repulsions at Hartree-Fock level, the intrinsic spin-orbit gap is found to grow by orders of magnitude and a QSH insulating phase appears that has both a finite spin Chern number and order parameter. Transport coefficients and spin susceptibility are calculated and found to consistently account for most of the experimental findings, including the metal-to-insulator crossover occurring at $\sim50$ K as well as the Berry phase change from 0 to $π$ under hydrostatic pressure. We argue that such a QSH insulating phase does not necessitate a sizeable spin-orbit interaction to generate a large insulating gap, which is highly advantageous for the search of novel topological phases in generic materials having low symmetry lattice and/or small spin-orbit coupling.

cond-mat.mes-hall↗

arXiv2020

Impact of impurity scattering on odd-frequency spin-triplet pairing near the edge of the Kitaev chain

We study a Kitaev chain model, which is the simplest model of topological superconductors hosting Majorana fermion, appearing as a zero-energy state at the edge. We analytically calculate the Green's function of the semi-infinite Kitaev chain with a delta-function-type impurity potential within the quasi-classical regime to obtain the spatial dependence of the induced odd-frequency pairing. It is found that if the position of the impurity is not far from the edge, the spatial profile of the local density of states (LDOS) and the odd-frequency spin-triplet $s$-wave pair amplitude is tunable as a function of the strength of the impurity potential. Moreover, the zero-energy LDOS and low-frequency odd-frequency pair amplitude are found to have the same spatial dependence. The spatial profile of the zero-energy LDOS is analyzed based on the wave function of Majorana fermions.

cond-mat.mes-hall↗

arXiv2020

Tight-Binding Model and Electronic Property of Dirac Nodal Line in Single-Component Molecular Conductor [Pt(dmdt)$_{2}$]

Motivated by the recent discovery of Dirac nodal line in the single-component molecular conductor [Pt(dmdt)$_{2}$], we propose a three-orbital tight-binding model based on the Wannier fitting of the first-principles calculation, and address the problems of edge states, topological properties and magnetic susceptibility. We find that logarithmic peaks of the local density of states emerge near the Fermi energy, owing to pseudo-one-dimensional edge states that appear between the Dirac nodal lines. Magnetic susceptibility calculated in our model can explain the experimental result at a high temperature. In the presence of a realistic spin-orbit coupling, we show that [Pt(dmdt)$_{2}$] is a topological nodal line semimetal with isolated electron and hole pockets.

cond-mat.mes-hall↗

arXiv2020

Transport properties of organic Dirac electron system α-(BEDT-TSeF)$_2$I$_3$

Motivated by the insulating behavior of $α$-(BEDT-TSeF)$_2$I$_3$ at low temperatures ($T$'s), we first performed first-principles calculations based on the crystal structural data at 30 K under ambient pressure, and we constructed a two-dimensional effective model using maximally localized Wannier functions. As possible causes of the insulating behavior, we studied the effects of the on-site Coulomb interaction $U$ and spin-orbit interaction (SOI) by investigating the electronic state and the transport coefficient using the Hartree approximation and the $T$-matrix approximation. The calculations at a finite $T$ demonstrated that a spin-ordered massive Dirac electron (SMD) appeared due to the on-site Coulomb interaction. We had an interest in the anomalous competitive effect with $U$ and SOI when the SMD phase is present in $α$-(BETS)$_2$I$_3$, and we investigated these contributions to the electronic state and conductivity. The SMD is not a conventional spin order, but it exhibits the spin-valley Hall effect. Direct current resistivity in the presence of a spin order gap increased divergently and exhibited negative magnetoresistance in the low $T$ region with decreasing $T$. The charge density hardly changed below and above the $T$ at which this insulating behavior appeared. However, when considering the SOI alone, the state changed to a topological insulator phase, and the electrical resistivity is saturated by edge conduction at quite low $T$. When considering both the SMD and the SOI, the spin order gap was suppressed by the SOI, and gaps with different sizes opened in the left and right Dirac cones. This phase transition leads to distinct changes in microwave conductivity, such as a discontinuous jump and a peak structure.

cond-mat.mes-hall↗

arXiv2020

Effect of Coulomb Interaction on Seebeck Coefficient of Organic Dirac Electron System $α$-(BEDT-TTF)$_2$I$_3$

Motivated by the results of recent thermoelectric effect studies, we show the effects of Coulomb interactions on the Seebeck coefficient based on an extended Hubbard model that describes the electronic states of a slightly doped organic Dirac electron system, $α$-(BEDT-TTF)$_2$I$_3$. Our results indicate that the Hartree terms of the Coulomb interactions enhance the electron-hole asymmetry of the energy band structure and change the energy dependence of the relaxation time from impurity scattering, which reflects the shape of the density of states. Thus, the Seebeck coefficient exhibits a non-monotonic $T$ dependence which qualitatively agrees with the experimental results. Furthermore, we also show that the signs of the Seebeck coefficient and the Hall coefficient calculated by linear response theory do not necessarily correspond to the sign of the chemical potential using a modified Weyl model with electron-hole asymmetry. These results point out that changing the electron-hole asymmetry by strong Coulomb interaction has the potential to controllable the sign and value of the Seebeck coefficient in the Dirac electron systems.

cond-mat.mes-hall↗

arXiv2019

Excitonic instability of two-dimensional tilted Dirac cones

The electron-electron Coulomb interaction in Dirac-Weyl semimetals harbours a novel paradigm of correlation effects that hybridizes diverse realms of solid-state physics with their relativistic counterpart. Driving spontaneous mass acquisition, the excitonic condensate of strongly-interacting massless Dirac fermions is one such example whose exact nature remains debated. Here, by focussing on the two-dimensional tilted Dirac cones in the organic salt $α$-(BEDT-TTF)$_2$I$_3$, we show that the excitonic instability is controlled by a small chemicalpotential shift and an in-plane magnetic field. In combined analyses based on renormalization-group approaches and ladder approximation, we demonstrate that the nuclear relaxation rate is an excellent probe of excitonic-spin fluctuations in an extended parameter region. Comparative nuclear magnetic resonance (NMR) experiments show good agreements with this result, jointly revealing the importance of intervalley nesting between field-induced, spin-split Fermi pockets of opposite charge polarities. Our work provides an accurate framework to search for excitonic instability of strongly-interacting massless fermions.

cond-mat.str-el↗

arXiv2019

Domain Wall Conductivity with strong Coulomb interaction of two-dimensional massive Dirac Electrons in the Organic Conductor $α$-(BEDT-TTF)$_2$I$_3$

Motivated by the results of recent transport and optical conductivity studies, we propose a semi-infinite two-dimensional lattice model for interacting massive Dirac electrons in the pressurized organic conductor $α$-(BEDT-TTF)$_2$I$_3$, and address the problem of domain wall conductivity in a charge-ordered insulating phase under realistic experimental conditions. Using the extended Hubbard model at a mean field level, we present results of extensive numerical studies around the critical region of the model, reporting on the resistivity and optical conductivity calculated by means of the Nakano-Kubo formula. We find that the activation gap extracted from the resistivity data can be much smaller than the optical gap in the critical region, which is induced by metallic conduction along an one-dimensional domain wall emerging at the border of two charge-ordered ferroelectric regions with opposite polarizations. The data are consistent with the observed transport gap in real $α$-(BEDT-TTF)$_2$I$_3$ samples that is reduced remarkably faster than the optical gap upon suppressing charge order with pressure. Our optical conductivity also reveals an additional shoulder-like structure at low energy inside the gap, which is argued to be directly relevant to the metallic bound states residing on the domain wall.

cond-mat.mes-hall↗

arXiv2017

Anomalous Spin Correlations and Mass-Generating Excitonic Instability of Interacting Weyl Fermions

Recent advances in the study of nodal Weyl fermions (WFs), quasi-relativistic massless particles, constitute a novel realm of quantum many-body phenomena. The Coulomb interaction in such systems, having a zero density of states at the Fermi level, is of particular interest, since in contrast to conventional correlated metals, its long-ranged component is unscreened. Here, through nuclear-magnetic-resonance (NMR) measurements, we unveil the exotic spin correlations of two-dimensional WFs in an organic material, causing a divergent increase of the Korringa ratio by a factor of 1000 upon cooling, in striking contrast with conventional metallic behaviors. Combined with model calculations, we show that this divergence stems from the interaction-driven velocity renormalization that almost exclusively suppresses the zero-momentum spin fluctuations. At low temperatures, the NMR rate shows a remarkable increase, which is shown by numerical analyses to correspond to inter-node excitonic fluctuations, precursor of a transition from massless to massive quasiparticles.

cond-mat.str-el↗

arXiv2016

Observation of an anisotropic Dirac cone reshaping and ferrimagnetic spin polarization in an organic conductor

The Coulomb interaction among massless Dirac fermions in graphene is unscreened around the isotropic Dirac points, causing a logarithmic velocity renormalization and a cone reshaping. In less symmetric Dirac materials possessing anisotropic cones with tilted axes, the Coulomb interaction can provide still more exotic phenomena which have not been experimentally unveiled yet. Here, using site-selective nuclear magnetic resonance, we find a non-uniform cone reshaping accompanied by a bandwidth reduction and an emergent ferrimagnetism in tilted Dirac cones that appear on the verge of charge ordering in an organic compound. Our theoretical analyses based on the renormalization-group approach and the Hubbard model show that these observations are the direct consequences of the long-range and short-range parts of the Coulomb interaction, respectively. The cone reshaping and the bandwidth renormalization, as well as the novel magnetism revealed here, can be ubiquitous and vital for many Dirac materials.

cond-mat.str-el↗

arXiv2013

Edge States in Molecular Solid α-(BEDT-TTF)2I3: Effects of Electron Correlations

We examine the edge states of the Dirac electrons in the molecular material α-(BEDT-TTF)2I3 with electron-electron interactions. Based on the analysis of the extended Hubbard model with the Hartree-Fock approximation, we show that the charge-ordered phase has the gapless edge states only in the vicinity of the phase boundary between the zero-gap state and the charge-ordered phase. We also show a peculiar flux phase caused by the long-range Coulomb interaction with the same mechanism as topological Mott insulator phase.

cond-mat.str-el↗

arXiv2012

Effects of Zeroline and Ferrimagnetic Fluctuation on Nuclear Magnetic Resonance for Dirac Electrons in Molecular Conductor alpha-(BEDT-TTF)2I3

We re-examine the wave function of two-dimensional massless Dirac electron in alpha-(BEDT-TTF)2I3 consisting of four molecules A, A', B and C in a unit cell, using a tight-binding model. We find zerolines in the Brillouin zone, on which the component of the wave function becomes zero for B or C sites. The zerolines, which are bounded by two Dirac points at k0 and pass through the M- or Y-points, result in a fact that the density of states of the B site exhibits no the Van Hove singularity near the energy of the Dirac points. By taking account of the on-site Coulomb interaction within the random phase approximation, we examine the spin fluctuation in order to investigate properties of the nuclear magnetic resonance for temperatures T > 50K. In the region for 100 < T < 300K, it is shown that the Knight sift for B-site monotonously decreases with decreasing temperature, owing to lack of the Van Hove singularity, while it shows a maximum for the other sites (A, A' and C sites). In the region for 50 < T < 100K, it is shown that the Knight sift is convex downward and the Korringa ratio increases with decreasing temperature for B-site. Such a behavior originates from the ferrimagnetic spin fluctuation related to the zerolines. These results are consistent with those of the nuclear magnetic resonance experiments.

cond-mat.mes-hall↗

arXiv2011

Berry Curvature of the Dirac Particle in $α$-(BEDT-TTF)$_2$I$_3$

We examine several properties of the Berry curvature for the organic conductor $α$-(BEDT-TTF)$_2$I$_3$ consisting of four bands, which exhibits a zero-gap state with Dirac cones. By adding a small potential acting on two molecular sites, which breaks the inversion symmetry, it is shown that the curvature for the Dirac particles displays a pair of peaks with opposite signs and that each peak increases with decreasing potential. The Berry curvature originating from the property of the wave function is analyzed using a reduced Hamiltonian with a 2x2 matrix based on the Luttinger-Kohn representation, which describes a pair of Dirac particles between the conduction band and the valence band. Two types of velocity fields in the reduced Hamiltonian, whose vector product gives the Berry curvature, rotate around the Dirac point as a vortex. It is also shown that the other bands exhibit another pair of peaks of Dirac particles with a tendency toward merging.

cond-mat.mes-hall↗