arXiv subjects

Hideo Yoshioka

Publications and source records attributed to Hideo Yoshioka.

At least 19 recordsLinked to original sources

arXiv2024

Breakdown of continuum elasticity due to electronic effects in gold nanotubes

A recent experiment reports a creation of goldene, which is two-dimensional gold with hexagonal structure. By rolling up the goldene, gold nanotubes (GNT) should exist, but their structural and electronic properties are not understood well. Based on first-principles calculations, we demonstrate a breakdown of inverse square law, wherein the curvature energy stored in a GNT decreases with the inverse square of the GNT radius. This is due to the enhanced curvature energy in specific GNTs having nearly flat bands around the Fermi level. We show that the electron states on the flat band of GNT reflect those on the Fermi surface of goldene by using the Bloch and geometric boundary conditions, and that in-plane character of the latter states enhances the curvature energy.

cond-mat.mtrl-sci↗

arXiv2020

Theory of the Strain Engineering of Graphene Nanoconstrictions

Strain engineering is one of the key technologies for using graphene as an electronic device: the strain-induced pseudo-gauge field reflects Dirac electrons, thus opening the so-called conduction gap. Since strain accumulates in constrictions, graphene nanoconstrictions can be a good platform for this technology. On the other hand, in the graphene nanoconstrictions, Fabry-Perot type quantum interference dominates the electrical conduction at low bias voltages. We argue that these two effects have different strain dependence; the pseudo-gauge field contribution is symmetric with respect to positive (tensile) and negative (compressive) strain, whereas the quantum interference is antisymmetric. As a result, a peculiar strain dependence of the conductance appears even at room temperatures.

cond-mat.mes-hall↗

arXiv2016

Phase Competition, Solitons, and Domain Walls in Neutral-Ionic Transition Systems

Phase competition and excitations in the one-dimensional neutral-ionic transition systems are theoretically studied comprehensively. From the semiclassical treatment of the bosonized Hamiltonian, we examine the competition among the neutral (N), ferroelectric-ionic (I$_\mathrm{ferro}$) and paraelectric-ionic (I$_\mathrm{para}$) states. The phase transitions between them can become first-order when the fluctuation-induced higher-order commensurability potential is considered. In particular, the description of the first-order phase boundary between N and I$_\mathrm{ferro}$ enables us to analyze N-I$_\mathrm{ferro}$ domain walls. Soliton excitations in the three phases are described explicitly and their formation energies are evaluated across the phase boundaries. The characters of the soliton and domain-wall excitations are classified in terms of the topological charge and spin. The relevance to the experimental observations in the molecular neutral-ionic transition systems is discussed. We ascribe the pressure-induced crossover in tetrathiafulvalene-$p$-chloranil (TTF-CA) at a high-temperature region to that from the N to the I$_\mathrm{para}$ state, and discuss its consequence.

cond-mat.str-el↗

arXiv2015

Tomonaga-Luttinger liquid theory for metallic fullurene polymers

We investigate the low energy behavior of local density of states in metallic C$_{60}$ polymers theoretically. The multichannel bosonization method is applied to electronic band structures evaluated from first principles calculation, by which the effects of electronic correlation and nanoscale corrugation in the atomic configuration are fully taken into account. We obtain a closed-form expression for the power law anomalies in the local density of states, which successfully describes the experimental observation on the \fu polymers in a quantitative manner. An important implication from the closed-form solution is the existence of an experimentally unobserved crossover at nearly a hundred milli-electron volts, beyond which the power law exponent of the \fu polymers should change significantly.

cond-mat.mes-hall↗

arXiv2011

Electronic spectral shift of oxygen-filled (6,6) carbon nanotubes

Electronic state modulation of the armchair (6,6) carbon nanotubes filled with a linear assembly of oxygen molecules is addressed theoretically. Ferromagnetic coupling of encapsulated oxygen produces a magnetic field with cylindrical symmetry, which deviates the electron's eigenenergies from those prior to the oxygen absorption. An intriguing spectral gap arises near the Fermi energy, at which the gap formation is allowed only when the tube length equals to a multiple of three in units of carbon hexagon. A possible means to detect the selective gap formation is discussed.

cond-mat.mes-hall↗

arXiv2011

Incommensurate Antiferromagnetic Insulating State in (MDT-TS)(AuI$_2$)$_{x}$

We theoretically study the metal-insulator transition in a molecular conductor (MDT-TS)(AuI$_2$)$_{x}$ composed with an incommensurate ratio ($x = 0.441$), where the conduction band originated from the HOMO of donor MDT-TS molecules is incommensurately filled. We consider a two-dimensional Hubbard model taking account of anisotropic transfer integrals in the donor layer, under a periodic potential due to the anions (AuI$_2$)$^-$ which mismatches the donor lattice period, and investigate the ground state within mean-field approximation. An antiferromagnetic insulating state with induced charge disproportionation is obtained in the large $U$ region; this corresponds to the incommensurate Mott insulating state predicted previously [H. Yoshioka {\it et al.}: \jo{\JPSJ}{74}{2005}{1922}] based on a simplified one-dimensional model.

cond-mat.str-el↗

arXiv2011

Density of states anomalies in multichannel quantum wires

We reformulate the Tomonaga--Luttinger liquid theory for quasi-one-dimensional Fermion systems with many subbands across the Fermi energy. Our theory enables us to obtain a rigorous expression of the local density of states (LDOS) for general multichannel quantum wires, describing how the power-law anomalies of LDOS depend on inter- and intra-subbands couplings as well as the Fermi velocity of each band. The resulting formula for the exponents is valid in the case of both bulk contact and edge contact, and thus plays a fundamental role in the physical properties of multicomponent Tomonaga--Luttinger liquid systems.

cond-mat.mes-hall↗

arXiv2010

Anomalous Interaction Dependence in Magnetism of Graphene Nanoribbons with Zigzag Edges

Properties in magnetic ordered states of graphene nanoribbons with zigzag shaped edges are investigated by applying mean-field approximation to the Hubbard model with on-site repulsion $U$. We observe that magnetic moments and critical temperature show anomalous power-law dependences as a function of $U$; the actual values of the power are determined by only the width of ribbons. Such singular behaviours are found to be due to localized nature of the electronic states close to Fermi energy.

cond-mat.mes-hall↗

arXiv2010

Manipulating the Tomonaga-Luttinger exponent by electric field modulation

We establish a theoretical framework for artificial control of the power-law singularities in Tomonaga-Luttinger liquid states. The exponent governing the power-law behaviors is found to increase significantly with an increase in the amplitude of the periodic electric field modulation applied externally to the system. This field-induced shift in the exponent indicates the tunability of the transport properties of quasi-one-dimensional electron systems.

cond-mat.mes-hall↗

arXiv2010

Finite-Temperature Properties across the Charge Ordering Transition -- Combined Bosonization, Renormalization Group, and Numerical Methods

We theoretically describe the charge ordering (CO) metal-insulator transition based on a quasi-one-dimensional extended Hubbard model, and investigate the finite temperature ($T$) properties across the transition temperature, $T_{\rm CO}$. In order to calculate $T$ dependence of physical quantities such as the spin susceptibility and the electrical resistivity, both above and below $T_{\rm CO}$, a theoretical scheme is developed which combines analytical methods with numerical calculations. We take advantage of the renormalization group equations derived from the effective bosonized Hamiltonian, where Lanczos exact diagonalization data are chosen as initial parameters, while the CO order parameter at finite-$T$ is determined by quantum Monte Carlo simulations. The results show that the spin susceptibility does not show a steep singularity at $T_{\rm CO}$, and it slightly increases compared to the case without CO because of the suppression of the spin velocity. In contrast, the resistivity exhibits a sudden increase at $T_{\rm CO}$, below which a characteristic $T$ dependence is observed. We also compare our results with experiments on molecular conductors as well as transition metal oxides showing CO.

cond-mat.str-el↗

arXiv2009

Curvature effects on collective excitations in dumbbell-shaped hollow nanotubes

We investigate surface-curvature induced alteration in the Tomonaga-Luttinger liquid (TLL) states of a one-dimensional (1D) deformed hollow nanotube with a dumbbell-shape. Periodic variation of the surface curvature along the axial direction is found to enhance the TLL exponent significantly, which is attributed to an effective potential field that acts low-energy electrons moving on the curved surface. The present results accounts for the experimental observation of the TLL properties of 1D metallic peanut-shaped fullerene polymers whose enveloping surface is assumed to be a dumbbell-shaped hollow tube.

cond-mat.mes-hall↗

arXiv2009

Theoretical Study on Transport Properties of Normal Metal - Zigzag Graphene Nanoribbon - Normal Metal Junctions

We investigate transport properties of the junctions in which the graphene nanoribbon with the zigzag shaped edges consisting of the $N$ legs is sandwiched by the two normal metals by means of recursive Green's function method. The conductance and the transmission probabilities are found to have the remarkable properties depending on the parity of $N$. The singular behaviors close to E=0 with $E$ being the Fermi energy are demonstrated. The channel filtering is shown to occur in the case with $N=$ even.

cond-mat.mes-hall↗

arXiv2009

Geometry-Driven Shift in the Tomonaga-Luttinger Exponent of Deformed Cylinders

We demonstrate the effects of geometric perturbation on the Tomonaga-Luttinger liquid (TLL) states in a long, thin, hollow cylinder whose radius varies periodically. The variation in the surface curvature inherent to the system gives rise to a significant increase in the power-law exponent of the single-particle density of states. The increase in the TLL exponent is caused by a curvature-induced potential that attracts low-energy electrons to region that has large curvature.

cond-mat.mes-hall↗

arXiv2008

Properties of nano-graphite ribbons with zigzag edges -- Difference between odd and even legs --

Persistent currents and transport properties are investigated for the nano-graphite ribbons with zigzag shaped edges with paying attention to system length $L$ dependence. It is found that both the persistent current in the isolated ring and the conductance of the system connected to the perfect leads show the remarkable $L$ dependences. In addition, the dependences for the systems with odd legs and those with even legs are different from each other. On the persistent current, the amplitude for the cases with odd legs shows power-low behavior as $L^{-N}$ with $N$ being the number of legs, whereas the maximum of it decreases exponentially for the cases with even legs. The conductance per one spin normalized by $e^2/h$ behaves as follows. In the even legs cases, it decays as $L^{-2}$, whereas it reaches to unity for $L \to \infty$ in the odd legs cases. Thus, the material is shown to have a remarkable property that there is the qualitative difference between the systems with odd legs and those with even legs even in the absence of the electron-electron interaction.

cond-mat.mes-hall↗

arXiv2007

Charge-Ordered State versus Dimer-Mott Insulator at Finite Temperatures

We theoretically investigate the competition between charge-ordered state and Mott insulating state at finite temperatures in quarter-filled quasi-one-dimensional electron systems, by studying dimerized extended Hubbard chains with interchain Coulomb interactions. In order to take into account one-dimensional fluctuations properly, we apply the bosonization method to an effective model obtained by the interchain mean-field approximation. The results show that lattice dimerization, especially in the critical region, and frustration in the interchain Coulomb interactions reduce the charge-ordering phase transition temperature and enlarge the dimer-Mott insulating phase. We also derive a general formula of the Knight shift in the charge-ordered phase and its implication to experiments is discussed.

cond-mat.str-el↗

arXiv2006

Finite-Temperature Charge-Ordering Transition and Fluctuation Effects in Quasi-One-Dimensional Electron Systems at Quarter Filling

Finite-temperature charge-ordering phase transition in quasi one-dimensional (1D) molecular conductors is investigated theoretically, based on a quasi 1D extended Hubbard model at quarter filling with interchain Coulomb repulsion $V_\perp$. The interchain term is treated within mean-field approximation whereas the 1D fluctuations in the chains are fully taken into account by the bosonization theory. Three regions are found depending on how the charge ordered state appears at finite temperature when $V_\perp$ is introduced: (i) weak-coupling region where the system transforms from a metal to a charge ordered insulator with finite transition temperature at a finite critical value of $V_\perp$, (ii) an intermediate region where this transition occurs by infinitesimal $V_\perp$ due to the stability of inherent 1D fluctuation, and (iii) strong-coupling region where the charge ordered state is realized already in the purely 1D case, of which the transition temperature becomes finite with infinitesimal $V_\perp$. Analytical formula for the $V_\perp$ dependence of the transition temperature is derived for each region.

cond-mat.str-el↗

arXiv2006

Theoretical Aspects of Charge Ordering in Molecular Conductors

Theoretical studies on charge ordering phenomena in quarter-filled molecular (organic) conductors are reviewed. Extended Hubbard models including not only the on-site but also the inter-site Coulomb repulsion are constructed in a straightforward way from the crystal structures, which serve for individual study on each material as well as for their systematic understandings. In general the inter-site Coulomb interaction stabilizes Wigner crystal-type charge ordered states, where the charge localizes in an arranged manner avoiding each other, and can drive the system insulating. The variety in the lattice structures, represented by anisotropic networks in not only the electron hopping but also in the inter-site Coulomb repulsion, brings about diverse problems in low-dimensional strongly correlated systems. Competitions and/or co-existences between the charge ordered state and other states are discussed, such as metal, superconductor, and the dimer-type Mott insulating state which is another typical insulating state in molecular conductors. Interplay with magnetism, e.g., antiferromagnetic state and spin gapped state for example due to the spin-Peierls transition, is considered as well. Distinct situations are pointed out: influences of the coupling to the lattice degree of freedom and effects of geometrical frustration which exists in many molecular crystals. Some related topics, such as charge order in transition metal oxides and its role in new molecular conductors, are briefly remarked.

cond-mat.str-el↗

arXiv2005

Knight Shift and Nuclear Spin Relaxation Rate in a Charge-Ordered State of the One-Dimensional Extended Hubbard Model at Quarter Filling

We investigate Knight shift and nuclear spin relaxation rate in a charge ordered state of the one-dimensional extended Hubbard model with a quarter filled band by using RPA around the mean-field solution. It is shown that both quantities show splitting below the critical temperature of the charge order, as is experimentally observed. The relationship between the mount of the splitting in the both quantities and the charge disproportionation rate is discussed.

cond-mat.str-el↗