arXiv subjects

Y. Ohta

Publications and source records attributed to Y. Ohta.

At least 37 records · Page 2Linked to original sources

arXiv2011

Peierls Mechanism of the Metal-Insulator Transition in Ferromagnetic Hollandite K2Cr8O16

Synchrotron X-ray diffraction experiment shows that the metal-insulator transition occurring in a ferromagnetic state of a hollandite K$_2$Cr$_8$O$_{16}$ is accompanied by a structural distortion from the tetragonal $I4/m$ to monoclinic $P112_{1}/a$ phase with a $\sqrt{2}\times\sqrt{2}\times 1$ supercell. Detailed electronic structure calculations demonstrate that the metal-insulator transition is caused by a Peierls instability in the quasi-one-dimensional column structure made of four coupled Cr-O chains running in the $c$-direction, leading to the formation of tetramers of Cr ions below the transition temperature. This furnishes a rare example of the Peierls transition of fully spin-polarized electron systems.

cond-mat.str-el↗

arXiv2011

A BCS-BEC crossover in the extended Falicov-Kimball model: Variational cluster approach

We study the spontaneous symmetry breaking of the excitonic insulator state induced by the Coulomb interaction $U$ in the two-dimensional extended Falicov-Kimball model. Using the variational cluster approximation (VCA) and Hartree-Fock approximation (HFA), we evaluate the order parameter, single-particle excitation gap, momentum distribution functions, coherence length of excitons, and single-particle and anomalous excitation spectra, as a function of $U$ at zero temperature. We find that in the weak-to-intermediate coupling regime, the Fermi surface plays an essential role and calculated results can be understood in close correspondence with the BCS theory, whereas in the strong-coupling regime, the Fermi surface plays no role and results are consistent with the picture of BEC. Moreover, we find that HFA works well both in the weak- and strong-coupling regime, and that the difference between the results of VCA and HFA mostly appears in the intermediate-coupling regime. The reason for this is discussed from a viewpoint of the self-energy. We thereby clarify the excitonic insulator state that typifies either a BCS condensate of electron-hole pairs (weak-coupling regime) or a Bose-Einstein condensate of preformed excitons (strong-coupling regime).

cond-mat.str-el↗

arXiv2011

Magnetic transition, long-range order, and moment fluctuations in the pyrochlore iridate Eu2Ir2O7

Muon spin rotation and relaxation experiments in the pyrochlore iridate Eu2Ir2O7 yield a well-defined muon spin precession frequency below the metal-insulator/antiferromagnetic transition temperature TM = 120 K, indicative of long-range commensurate magnetic order and thus ruling out quantum spin liquid and spin-glass-like ground states. The dynamic muon spin relaxation rate is temperature-independent between 2 K and ~TM and yields an anomalously long Ir^{4+} spin correlation time, suggesting a singular density of low-lying spin excitations. Similar behavior is found in other pyrochlores and geometrically frustrated systems, but also in the unfrustrated iridate BaIrO3. Eu2Ir2O7 may be only weakly frustrated; if so, the singularity might be associated with the small-gap insulating state rather than frustration.

cond-mat.str-el↗

arXiv2011

Spin gap of the three-leg S=3/2 Heisenberg tube

The ground-state properties of the three-leg S=3/2 Heisenberg tube are studied using the density-matrix renormalization group method. We find that the spin-excitation gap associated with a spontaneous dimerization opens for the whole coupling regime, as seen in the three-leg S=1/2 Heisenberg tube. However, in contrast to the case of S=1/2 tube, the gap increases very slowly with increasing the rung coupling and its size is only a few % or less of the leg exchange interaction in the weak- and intermediate-coupling regimes. We thus argue that, unless the rung coupling is substantially larger than the leg coupling, the gap may be quite hard to be observed experimentally. We also calcuate the quantized Berry phase to show that there exist three kinds of valence-bond-solid states depending on the ratio of leg and rung couplings.

cond-mat.str-el↗

arXiv2011

Self-energy and Fermi surface of the 2-dimensional Hubbard model

We present an exact diagonalization study of the self-energy of the two-dimensional Hubbard model. To increase the range of available cluster sizes we use a corrected t-J model to compute approximate Greens functions for the Hubbard model. This allows to obtain spectra for clusters with 18 and 20 sites. The self-energy has several `bands' of poles with strong dispersion and extended incoherent continua with k-dependent intensity. We fit the self-energy by a minimal model and use this to extrapolate the cluster results to the infinite lattice. The resulting Fermi surface shows a transition from hole pockets in the underdoped regime to a large Fermi surface in the overdoped regime. We demonstrate that hole pockets can be completely consistent with the Luttinger theorem. Introduction of next-nearest neighbor hopping changes the self-energy stronlgy and the spectral function with nonvanishing next-nearest-neighbor hopping in the underdoped region is in good agreement with angle resolved photoelectron spectroscopy.

cond-mat.str-el↗

arXiv2010

Theory of the waterfall phenomenon in cuprate superconductors

Based on exact diagonalization and variational cluster approximation calculations we study the relationship between charge transfer models and the corresponding single band Hubbard models. We present an explanation for the waterfall phenomenon observed in angle resolved photoemission spectroscopy (ARPES) on cuprate superconductors. The phenomenon is due to the destructive interference between the phases of the O2p orbitals belonging to a given Zhang-Rice singlet and the Bloch phases of the photohole which occurs in certain regions of k-space. It therefore may be viewed as a direct experimental visualisation of the Zhang-Rice construction of an effective single band model for the CuO2 plane.

cond-mat.str-el↗

arXiv2010

Theory of the Lightly Doped Mott Insulator

A theory for the Hubbard model appropriate in the limit of large U/t, small doping away from half-filling and short-ranged antiferromagnetic spin correlations is presented. Despite the absence of any broken symmetry the Fermi surface takes the form of elliptical hole pockets centered near (pi/2,pi/2) with a volume proportional to the hole concentration. Short range antiferromagnetic correlations render the nearest neighbor hopping almost ineffective so that only second or third nearest neighbor hopping contributes appreciably to the dispersion relation.

cond-mat.str-el↗

arXiv2009

K$_2$Cr$_8$O$_{16}$ predicted as a half-metallic ferromagnet: Scenario for a metal-insulator transition

Based on the first-principles electronic structure calculations, we predict that a chromium oxide K$_2$Cr$_8$O$_{16}$ of hollandite type should be a half-metallic ferromagnet where the Fermi level crosses only the majority-spin band, whereas the minority-spin band has a semiconducting gap. We show that the double-exchange mechanism is responsible for the observed saturated ferromagnetism. We discuss possible scenarios of the metal-insulator transition observed at low temperature and we argue that the formation of the incommensurate, long-wavelength density wave of spinless fermions caused by the Fermi-surface nesting may be the origin of the opening of the charge gap.

cond-mat.str-el↗

arXiv2008

Ab initio electronic structure calculation of hollandite vanadate K$_2$V$_8$O$_{16}$

An \textit{ab initio} electronic structure calculation based on the generalized gradient approximation in the density functional theory is carried out to study the basic electronic states of hollandite vanadate K$_2$V$_8$O$_{16}$. We find that the states near the Fermi energy consist predominantly of the three $t_{2g}$-orbital components and the hybridization with oxygen $2p$ orbitals is small. The $d_{yz}$ and $d_{zx}$ orbitals are exactly degenerate and are lifted from the $d_{xy}$ orbital. The calculated band dispersion and Fermi surface indicate that the system is not purely one-dimensional but the coupling between the VO double chains is important. Comparison with available experimental data suggests the importance of electron correlations in this system.

cond-mat.str-el↗

arXiv2008

Spin-triplet f-wave pairing due to three-site cyclic-exchange ferromagnetic interactions

Ferromagnetiam and superconductivity in a two-dimensional triangular-lattice Hubbard model are studied using the density-matrix renormalization group method. We propose a mechanism of the {\it f}-wave spin-triplet pairing derived from the three-site cyclic-exchange ferromagnetic interactions. We point out that a triangular network of hopping integrals, which is required for the three-site cyclic hopping processes, is contained in the (possibly) spin-triplet superconducting systems, such as Bechgaard salts (TMTSF)$_2$X, cobalt oxide Na$_{0.35}$CoO$_2$$\cdot$1.3H$_2$O, and layered perovskite Sr$_2$RuO$_4$.

cond-mat.str-el↗

arXiv2008

Spin and density excitations in the triangular-lattice $t$-$J$ model with multiple-spin exchange interactions: $^3$He on graphite

Using an exact diagonalization technique on small clusters, we study spin and density excitations of the triangular-lattice $t$-$J$ model with multiple-spin exchange interactions, whereby we consider anomalous properties observed in the doped Mott region of the two-dimensional liquid $^3$He adsorbed on a graphite surface. We find that the double-peak structure consistent with experiment appears in the calculated temperature dependence of the specific heat; the low-temperature sharp peak comes from the spin excitations reflecting the frustrated nature of the spin degrees of freedom and high-temperature broad peak comes from the density excitations extending over the entire band width. The clear separation in their energy scales is evident in the calculated spin and density excitation spectra. The calculated single-particle excitation spectra suggest the presence of fermionic quasiparticles dressed by the spin excitations, with an enhanced effective mass consistent with experiment.

cond-mat.other↗

arXiv2008

Antiferromagnetism versus Kondo screening in the two-dimensional periodic Anderson model at half filling: Variational cluster approach

The variational cluster approach (VCA) based on the self-energy functional theory is applied to the two-dimensional symmetric periodic Anderson model at half filling. We calculate a variety of physical quantities including the staggered moments and single-particle spectra at zero temperature to show that the symmetry breaking due to antiferromagnetic ordering occurs in the strong coupling region, whereas in the weak coupling region, the Kondo insulating state without symmetry breaking is realized. The critical interaction strength is estimated. We thus demonstrate that the phase transition due to competition between antiferromagnetism and Kondo screening in the model can be described quantitatively by VCA.

cond-mat.str-el↗

arXiv2008

Weak quasistatic magnetism in the frustrated Kondo lattice Pr_2Ir_2O_7

Muon spin relaxation experiments have been performed in the pyrochlore iridate Pr_2Ir_2O_7 for temperatures in the range 0.025-250 K. Kubo-Toyabe relaxation functions are observed up to > 200 K, indicating static magnetism over this temperature range. The T -> 0 static muon spin relaxation rate Delta(0) ~ 8 mus^-1 implies a weak quasistatic moment (~0.1 mu_B). The temperature dependence of Delta is highly non-mean-field-like, decreasing smoothly by orders of magnitude but remaining nonzero below ~150 K. The data rule out ordering of the full Pr^3+ CEF ground-state moment (3.0 mu_B) down to 0.025 K. The weak static magnetism is most likely due to hyperfine-enhanced ^141Pr nuclear magnetism. The dynamic relaxation rate lambda increases markedly below ~20 K, probably due to slowing down of spin fluctuations in the spin-liquid state. At low temperatures lambda is strong and temperature-independent, indicative of a high density of low-lying spin excitations as is common in frustrated antiferromagnets.

cond-mat.str-el↗

arXiv2008

Superconductivity in a model of two Hubbard chains coupled with ferromagnetic exchange interaction

We study the ground-state properties of the double-chain Hubbard model coupled with ferromagnetic exchange interaction by using the weak-coupling theory, density-matrix renormalization group technique, and Lanczos exact-diagonalization method. We determine the ground-state phase diagram in the parameter space of the ferromagnetic exchange interaction and band filling. We find that, in high electron density regime, the spin gap opens and the spin-singlet $d_{xy}$-wave-like pairing correlation is most dominant, whereas in low electron density regime, the fully-polarized ferromagnetic state is stabilized where the spin-triplet $p_{y}$-wave-like pairing correlation is most dominant.

cond-mat.str-el↗

arXiv2008

Theoretical study of the electronic states of hollandite vanadate K$_2$V$_8$O$_{16}$

We consider electronic properties of hollandite vanadate K$_2$V$_8$O$_{16}$, a one-dimensional zigzag-chain system of $t_{2g}$ orbitals in a mixed valent state. We first calculate the Madelung energy and obtain the relative stability of several charge-ordering patterns to determine the most stable one that is consistent with the observed superlattice structure. We then develop the strong-coupling perturbation theory to derive the effective spin-orbit Hamiltonian, starting from the triply-degenerate $t_{2g}$ orbitals in the VO$_6$ octahedral structure. We apply an exact-diagonalization technique on small clusters of this Hamiltonian and obtain the orbital-ordering pattern and spin structures in the ground state. We thereby discuss the electronic and magnetic properties of K$_2$V$_8$O$_{16}$ including predictions on the outcome of future experimental studies.

cond-mat.str-el↗

arXiv2008

Coexistence of distinct charge fluctuations in $θ$-(BEDT-TTF)$_2$X

Using the Lanczos exact-diagonalization and density-matrix renormalization group methods, we study the extended Hubbard model at quarter filling defined on the anisotropic triangular lattice. We focus on charge ordering (CO) phenomena induced by onsite and intersite Coulomb interactions. We determine the ground-state phase diagram including three CO phases, i.e., diagonal, vertical, and three-fold CO phases, based on the calculated results of the hole density and double occupancy. We also calculate the dynamical density-density correlation functions and find possible coexistence of the diagonal and three-fold charge fluctuations in a certain parameter region where the onsite and intersite interactions compete. Furthermore, the characteristic features of the optical conductivity for each CO phase are discussed.

cond-mat.str-el↗

arXiv2007

Phase diagram of the one-dimensional Hubbard model with next-nearest-neighbor hopping

We study the one-dimensional Hubbard model with nearest-neighbor and next-nearest-neighbor hopping integrals by using the density-matrix renormalization group (DMRG) method and Hartree-Fock approximation. Based on the calculated results for the spin gap, total-spin quantum number, and Tomonaga-Luttinger-liquid parameter, we determine the ground-state phase diagram of the model in the entire filling and wide parameter region. We show that, in contrast to the weak-coupling regime where a spin-gapped liquid phase is predicted in the region with four Fermi points, the spin gap vanishes in a substantial region in the strong-coupling regime. It is remarkable that a large variety of phases, such as the paramagnetic metallic phase, spin-gapped liquid phase, singlet and triplet superconducting phases, and fully polarized ferromagnetic phase, appear in such a simple model in the strong-coupling regime.

cond-mat.str-el↗

arXiv2007

Quasideterminant solutions of a non-Abelian Hirota-Miwa equation

A non-Abelian version of the Hirota-Miwa equation is considered. In an earlier paper [Nimmo (2006) J. Phys. A: Math. Gen. \textbf{39}, 5053-5065] it was shown how solutions expressed as quasideterminants could be constructed for this system by means of Darboux transformations. In this paper we discuss these solutions from a different perspective and show that the solutions are quasi-Plücker coordinates and that the non-Abelian Hirota-Miwa equation may be written as a quasi-Plücker relation. The special case of the matrix Hirota-Miwa equation is also considered using a more traditional, bilinear approach and the techniques are compared.

nlin.SI↗