arXiv subjects

Junya Otsuki

Publications and source records attributed to Junya Otsuki.

At least 55 records · Page 3Linked to original sources

arXiv2012

Resolution of Entropy $\ln \sqrt 2$ by Ordering in Two-Channel Kondo Lattice

Peculiar property of electronic order is clarified for the two-channel Kondo lattice. With two conduction electrons per site, the order parameter is a composite quantity involving both local and itinerant degrees of freedom. In contrast to the ordinary Kondo lattice, a heavy electron band is absent above the transition temperature, but is rapidly formed below it. The change of entropy associated with the ordering is found to be close to $\ln \sqrt 2$ per site. This entropy corresponds to the residual entropy in a two-channel Kondo impurity, which has been regarded as due to localized free Majorana particles. The present composite order is interpreted as instability of Majorana particles toward non-Kramers conduction electrons plus heavy fermions that involve localized electrons.

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arXiv2011

Two-Particle Self-Consistent Approach to Anisotropic Superconductivity

A nonperturbative approach to anisotropic superconductivity is developed based on the idea of two-particle self-consistent (TPSC) theory by Vilk and Tremblay. A sum-rule which the momentum-dependent pairing susceptibility satisfies is derived. An effective pairing interaction between quasiparticles is determined so that the susceptibility should fulfill this exact sum-rule, in which fluctuations belonging to different symmetries couple at finite momentum. It is demonstrated that the mode coupling between d-wave and s-wave pairing fluctuations leads to suppression of the d-wave fluctuation near the Mott insulator.

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arXiv2011

Diagonal composite order in two-channel Kondo lattice

A novel type of symmetry breaking is reported for the two-channel Kondo lattice where conduction electrons have spin and orbital (channel) degrees of freedom. Using the continuous-time quantum Monte Carlo and the dynamical mean-field theory, a spontaneous breaking of the orbital symmetry is observed. The tiny breakdown of orbital occupation number, however, vanishes if the conduction electrons have the particle-hole symmetry. The proper order parameter instead is identified as a composite quantity representing the orbital-selective Kondo effect. The single-particle spectrum of the selected orbital shows insulating property, while the other orbital behaves as Fermi liquid. This composite order is the first example of odd-frequency order other than off-diagonal order (superconductivity), and is a candidate of hidden order in $f$-electron systems.

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arXiv2011

Multiple Quantum Phase Transitions of Plutonium compounds

We show by quantum Monte Carlo simulations of realistic Kondo lattice models derived from electronic--structure calculations that multiple quantum critical points can be realized in Plutonium--based materials. We place representative systems including PuCoGa5 on a realistic Doniach phase diagram and identify the regions where the magnetically mediated superconductivity could occur. Solution of an inverse problem to restore the quasiparticle renormalization factor for f-electrons is shown to be sufficiently good to predict the trends among Sommerfeld coefficients and magnetism. Suggestion on the possible experimental verification for this scenario is given for PuAs.

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arXiv2010

Microscopic Mechanism for Staggered Scalar Order in PrFe4P12

A microscopic model is proposed for the scalar order in PrFe4P12 where f2 crystalline electric field (CEF) singlet and triplet states interact with two conduction bands. By combining the dynamical mean-field theory and the continuous-time quantum Monte Carlo, we obtain an electronic order with staggered Kondo and CEF singlets with the total conduction number being unity per site. The ground state becomes semimetallic provided that the two conduction bands have different occupation numbers. This model naturally explains experimentally observed properties in the ordered phase of PrFe4P12 such as the scalar order parameter, temperature dependence of the resistivity, field-induced staggered moment, and inelastic features in neutron scattering. The Kondo effect plays an essential role for ordering, in strong contrast with ordinary magnetic orders by the RKKY interaction.

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arXiv2010

Electronic Orders Induced by Kondo Effect in Non-Kramers f-Electron Systems

This paper clarifies the microscopic nature of the staggered scalar order, which is specific to even number of f electrons per site. In such systems, crystalline electric field (CEF) can make a singlet ground state. As exchange interaction with conduction electrons increases, the CEF singlet at each site gives way to Kondo singlets. The collective Kondo singlets are identified with itinerant states that form energy bands. Near the boundary of itinerant and localized states, a new type of electronic order appears with staggered Kondo and CEF singlets. We present a phenomenological three-state model that qualitatively reproduces the characteristic phase diagram, which have been obtained numerically with use of the continuous-time quantum Monte Carlo combined with the dynamical mean-field theory. The scalar order observed in PrFe_4P_{12} is ascribed to this staggered order accompanying charge density wave (CDW) of conduction electrons. Accurate photoemission and tunneling spectroscopy should be able to probe sharp peaks below and above the Fermi level in the ordered phase.

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arXiv2010

Continuous-Time Quantum Monte Carlo Study of Local Non-Fermi Liquid State in the Multichannel Anderson Model

The impurity Green's function Gf in the local non-Fermi liquid state is evaluated by means of the continuous-time quantum Monte Carlo method extended to the multichannel Anderson model. For N=M (where N and M are numbers of spin components and channels, respectively), Gf is expressed as -Im Gf(w+i0) = c - b |w|^{1/2}, and the zero-frequency value c depends only on N (=M). A corresponding impurity self-energy at low frequencies is composed of two parts: a resonance term related to c, and a non-Fermi liquid term proportional to |w|^{1/2}. The characteristic energy scale is discussed in terms of the non-Fermi liquid term in the self-energy.

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arXiv2010

Dimensional trend in CePt2In7, Ce-115 compounds, and CeIn3

We present realistic Kondo-lattice simulation results for the recently-discovered heavy-fermion antiferromagnet CePt2In7 comparing with its three-dimensional counterpart CeIn3 and the less two-dimensional ones, Ce-115's. We find that the distance to the magnetic quantum critical point is the largest for CeIn3 and the smallest for Ce-115's, and CePt2In7 falls in between. We argue that the trend in quasi-two-dimensional materials stems from the frequency dependence of the hybridization between Cerium 4f-electrons and the conduction bands.

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arXiv2010

Electronic Order with Staggered Kondo and Crystalline Electric Field Singlets

Novel electronic order is found theoretically for a system where even number of localized electrons per site are coupled with conduction electrons. For precise quantitative study, a variant of the Kondo lattice model is taken with crystalline electric field (CEF) singlet and triplet states for each site. Using the dynamical mean-field theory combined with the continuous-time quantum Monte Carlo method, a staggered order with alternating Kondo and CEF singlets is identified for a case with one conduction electron per site being distributed in two conduction bands each of which is quarter-filled. This electronic order accompanies a charge density wave (CDW) of conduction electrons that accumulate more on Kondo-singlet sites than on CEF-singlet sites. Possible relevance of the present order to the scalar order in PrFe$_4$P$_{12}$ is discussed.

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arXiv2009

Itinerant Antiferromagnetism in Infinite Dimensional Kondo Lattice

Highly accurate numerical results for single-particle spectrum and order parameter are obtained for the magnetically ordered Kondo lattice by means of the dynamical mean-field theory combined with the continuous-time quantum Monte Carlo method. Hybridized energy bands involving local spins are identified in the Néel state as a hallmark of itinerant antiferromagnetism. At the boundary of the reduced Brillouin zone, the two-fold degeneracy remains in spite of the doubled unit cell. This degeneracy results if the molecular field felt by localized spins has identical magnitude and reversed direction with that of conduction electrons. The persistent Kondo effect is responsible for the behavior. The antiferromagnetic quantum transition occurs inside the itinerant regime, and does not accompany the itinerant-localized transition.

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arXiv2009

First Principle Simulations of Heavy Fermion Cerium Compounds Based on the Kondo Lattice

We propose a new framework for first-principle calculations of heavy-fermion materials. These are described in terms of the Kondo lattice Hamiltonian with the parameters extracted from a realistic density functional based calculation which is then solved using continuous-time quantum Monte Carlo method and dynamical mean field theory. As an example, we show our results for the Neel temperatures of Cerium-122 compounds (CeX2Si2 with X=Ru, Rh, Pd, Cu, Ag, and Au) where the general trend around the magnetic quantum critical point is successfully reproduced. Our results are organized on a universal Doniach phase diagram in a semi-quantitative way.

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arXiv2009

Continuous-Time Quantum Monte Carlo Approach to Singlet-Triplet Kondo Systems

Dynamical properties are studied numerically for a variant of the Kondo model with singlet and triplet crystalline electric field (CEF) levels where Kondo and CEF singlets compete for the ground state. Using the continuous-time quantum Monte Carlo method, we derive the $t$-matrix of conduction electrons and dynamical susceptibilities of local electrons without encountering the negative sign problem. When the CEF splitting is comparable to the Kondo temperature, the dynamical response has only a quasi-elastic peak. Nevertheless, the local single-particle spectrum shows an energy gap in strong contrast with the ordinary Kondo model.

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arXiv2008

The Kondo Lattice Model in Infinite Dimensions II. Static Susceptibilities and Phase Diagram

Magnetic and charge susceptibilities in the Kondo lattice are derived by the continuous-time quantum Monte Carlo (CT-QMC) method combined with the dynamical mean-field theory. For a weak exchange coupling J and near half filling of the conduction band, antiferromagnetic transition occurs as signalled by divergence of the staggered magnetic susceptibility with lowering temperature. With increasing J, the Kondo effect suppresses the divergence, and the critical value of J agrees well with Doniach's estimate which considers the RKKY interaction as competing with the Kondo effect. For low density of conduction electrons, a ferromagnetic ordering is observed where Doniach's estimate does not work. Around quarter filling, a charge-density-wave (CDW) transition is found. The CDW is interpreted from the strong-coupling limit in terms of effective repulsion between Kondo singlets.

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arXiv2008

Evolution of a Large Fermi Surface in the Kondo Lattice

Single-particle spectrum of the Kondo lattice model is derived with use of the continuous-time quantum Monte Carlo method, combined with the dynamical mean-field theory. Crossover behavior is traced quantitatively either to a heavy Fermi-liquid state or to a magnetically ordered state from the local-moment state at high temperatures. The momentum distribution in the low-temperature limit acquires a discontinuity at the location that involves the local-spin degrees of freedom. Even without the charge degrees of freedom for local electrons, the excitation spectra exhibit hybridized bands similar to those in the Anderson lattice. Temperature dependence in the zero-energy component of the self-energy is crucial in forming the Fermi-liquid state with the large Fermi surface.

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arXiv2008

The Kondo Lattice Model in Infinite Dimensions I. Formalism

A Green-function formalism for the Kondo lattice model is presented, which is designed to be combined with the dynamical mean-field theory. With use of Wick's theorem only for conduction electrons, dynamical quantities are represented in terms of the t-matrix and its two-particle generalizations. By taking the high-frequency limit of the t-matrix with respect to a part of the fermion frequencies, one obtains dynamical correlation functions of localized moments. Explicit examples of calculational steps are provided with use of the continuous-time quantum Monte Carlo method.

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arXiv2007

Excitonic Bound State in the Extended Anderson Model with c-f Coulomb Interaction

The Anderson model with the Coulomb interaction between the local and conduction electrons is studied in the semiconducting phase. Based on a perturbation theory from the atomic limit, leading contributions for the c-f Coulomb interaction are incorporated as a vertex correction to hybridization. An analytical solution shows that the effective attraction in the intermediate states leads to a bound state localized at the local electron site. Self-consistent equations are constructed as an extension of the non-crossing approximation (NCA) to include the vertex part yielding the bound state. A numerical calculation demonstrates the excitonic bound state inside the semiconducting gap for single-particle excitations, and a discontinuity at the gap edge for magnetic excitations.

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arXiv2006

Hybridization and multipole orders of 4f electrons in Pr skutterudites

Characteristics of hybridization and multipole orders of $4f$-electrons in Pr skutterudites are explained in terms of a pseudo-quartet composed of crystalline electric field (CEF) singlet and the triplet. It is shown that the contrasting behaviors observed in PrFe$_4$P$_{12}$ and PrOs$_4$Sb$_{12}$ are ascribed to the difference in triplet wave functions and the CEF splittings.Since a macroscopic degeneracy remains even in the ordered phase with the $Γ_3$-type antiferro-quadrupole (AFQ) order,a model with strong AFQ fluctuation and static monopole/hexadecapole order is proposed for PrFe$_4$P$_{12}$.The remaining cubic symmetry explains qualitatively the behavior of staggered magnetization observed by NMR and neutron scattering. For identification of possible hexadecapole orders in PrFe$_4$P$_{12}$ andPrRu$_4$P$_{12}$, eightfold intensity pattern is predicted in the azimuthal angle scan of resonant X-ray scattering. In PrOs$_4$Sb$_{12}$, the ferromagnetic exchange coupling with the conduction band does not lead to magnetic Kondo effect, but a momentum-dependent quadrupole coupling can give rise to enhanced effective mass, which should be sensitive to disorder.

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arXiv2005

Dynamics of the Singlet-Triplet System Coupled with Conduction Spins -- Application to Pr Skutterudites

Dynamics of the singlet-triplet crystalline electric field (CEF) system at finite temperatures is discussed by use of the non-crossing approximation. Even though the Kondo temperature is smaller than excitation energy to the CEF triplet, the Kondo effect appears at temperatures higher than the CEF splitting, and accordingly only quasi-elastic peak is found in the magnetic spectra. On the other hand, at lower temperatures the CEF splitting suppresses the Kondo effect and inelastic peak develops. The broad quasi-elastic neutron scattering spectra observed in PrFe_4P_{12} at temperatures higher than the quadrupole order correspond to the parameter range where the CEF splittings are unimportant.

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