arXiv subjects

Seiji Miyashita

Publications and source records attributed to Seiji Miyashita.

At least 91 records · Page 5Linked to original sources

arXiv2007

Monte Carlo simulation of pressure-induced phase transitions in spin-crossover materials

Pressure-induced phase transitions of spin-crossover materials were simulated by a Monte Carlo simulation in the constant pressure ensemble for the first time. Here, as the origin of the cooperative interaction, we adopt elastic interaction among the distortions of the lattice due to the difference of the molecular sizes in different spin states, i.e., the high spin (HS) state and the low spin (LS) state. We studied how the temperature dependence of the ordering process changes with the pressure, and we obtained a standard sequence of temperature dependences that has been found in changing other parameters such as strength of the ligand field (S. Miyashita et al., Prog. Theor. Phys. \textbf{114}, 719 (2005)). Various effects of pressure on the spin-crossover ordering process are examined from a unified point of view.

cond-mat.mtrl-sci↗

arXiv2007

Simple Two-Dimensional Model for the Elastic Origin of Cooperativity among Spin States of Spin-Crossover Complexes

We study the origin of the cooperative nature of spin crossover (SC) between low spin (LS) and high spin (HS) states from the view point of elastic interactions among molecules. As the size of each molecule changes depending on its spin state, the elastic interaction among the lattice distortions provides the cooperative interaction of the spin states. We develop a simple model of SC with intra and intermolecular potentials which accounts for the elastic interaction including the effect of the inhomogeneity of the spin states, and apply constant temperature molecular dynamics based on the Nosé-Hoover formalism. We demonstrate that, with increase of the strength of the intermolecular interactions, the temperature dependence of the HS component changes from a gradual crossover to a first-order transition.

cond-mat.str-el↗

arXiv2007

Domain Wall Dynamics near a Quantum Critical Point

We study the real-time domain-wall dynamics near a quantum critical point of the one-dimensional anisotropic ferromagnetic spin 1/2 chain. By numerical simulation, we find the domain wall is dynamically stable in the Heisenberg-Ising model. Near the quantum critical point, the width of the domain wall diverges as $(Δ-1) ^{-1/2}$.

cond-mat.mtrl-sci↗

arXiv2007

Slow Relaxation Process in Ising like Heisenberg Kagome Antiferromagnets due to Macroscopic Degeneracy in the Ordered State

We study relaxation phenomena in the ferromagnetically ordered state of the Ising-like Heisenberg kagome antiferromagnets. We introduce the "weathervane loop" in order to characterize macroscopic degenerate ordered states and study the microscopic mechanism of the slow relaxation from a view point of the dynamics of the weathervane loop configuration. This mechanism may give a possible origin of the slow relaxation reported in recent experiments.

cond-mat.stat-mech↗

arXiv2006

Quantum Annealing Effect on Entropic Slowing Down in Frustrated Decorated Bond System

We propose that the importance of the quantum annealing procedure to find the ground state of frustrated decorated bond systems where 'entropic slowing down' happens due to peculiar density of states. Here, we use the time dependent Schrödinger equation to analyze the real time dynamics of the process. It is found that the quantum annealing is very efficient comparing to the thermal annealing for searching the ground state of the systems. We analyze the mechanism of quantum annealing from a view point of adiabatic process.

cond-mat.dis-nn↗

arXiv2005

Dynamical properties of temperature chaos and memory effect

In the frustrated interaction systems, the nature of ordered configuration can be intrinsically temperature dependent. There, the idea of effective coupling of decorated and frustrated bond plays an important role. The idea of effective coupling is verified in the study of equilibrium properties. We will study how the effective coupling is realized in the dynamical processes, e.g. the relaxation time after a change of temperature. We also study the memory phenomena which have been found in the spin glass.

cond-mat.dis-nn↗

arXiv2005

Structure of Metastable States in Phase Transitions with High-Spin Low-Spin Degree of Freedom

Difference of degeneracy of the low-spin (LS) and high-spin (HS) states causes interesting entropy effects on spin-crossover phase transitions and charge transfer phase transitions in materials composed of the spin-crossover atoms. Mechanisms of the spin-crossover (SC) phase transitions have been studied by using Wajnflasz model, where the degeneracy of the spin states (HS or LS) is taken into account and cooperative natures of the spin-crossover phase transitions have been well described. Recently, a charge transfer (CT) phase transition due to electron hopping between LS and HS sites has been studied by using a generalized Wajnflasz model. In the both systems of SC and CT, the systems have a high temperature structure (HT) and a low temperature structure (LT), and the change between them can be a smooth crossover or a discontinuous first order phase transition depending on the parameters of the systems. Although apparently the standard SC system and the CT system are very different, it is shown that both models are equivalent under a certain transformation of variables. In both systems, the structure of metastable state at low temperatures is a matter of interest. We study temperature dependence of fraction of HT systematically in a unified model, and find several structures of equilibrium and metastable states of the model as functions of system parameters. In particular, we find a reentrant type metastable branch of HT in a low temperature region, which would play an important role to study the photo-irradiated processes of related materials.

cond-mat.stat-mech↗

arXiv2005

Temperature dependence of ESR intensity for the nanoscale molecular magnet V15

The electron spin resonance (ESR) of nanoscale molecular magnet ${\rm V}_{15}$ is studied. Since the Hamiltonian of ${\rm V}_{15}$ has a large Hilbert space and numerical calculations of the ESR signal evaluating the Kubo formula with exact diagonalization method is difficult, we implement the formula with the help of the random vector technique and the Chebyshev polynominal expansion, which we name the double Chebyshev expansion method. We calculate the temperature dependence of the ESR intensity of ${\rm V}_{15}$ and compare it with the data obtained in experiment. As another complementary approach, we also implement the Kubo formula with the subspace iteration method taking only important low-lying states into account. We study the ESR absorption curve below $100{\rm K}$ by means of both methods. We find that side peaks appear due to the Dzyaloshinsky-Moriya interaction and these peaks grows as temperature decreases.

cond-mat.stat-mech↗

arXiv2005

A Unified Theoretical Description of the Thermodynamical Properties of Spin Crossover with Magnetic Interactions

After the discovery of the phenomena of light-induced excited spin state trapping (LIESST), the functional properties of metal complexes have been studied intensively. Among them, cooperative phenomena involving low spin-high spin (spin-crossover) transition and magnetic ordering have attracted interests, and it has become necessary to formulate a unified description of both phenomena. In this work, we propose a model in which they can be treated simultaneously by extending the Wajnflasz-Pick model including a magnetic interaction. We found that this new model is equivalent to Blume-Emery-Griffiths (BEG) Hamiltonian with degenerate levels. This model provides a unified description of the thermodynamic properties associated with various types of systems, such as spin-crossover (SC) solids and Prussian blue analogues (PBA). Here, the high spin fraction and the magnetization are the order parameters describing the cooperative phenomena of the model. We present several typical temperature dependences of the order parameters and we determine the phase diagram of the system using the mean-field theory and Monte Carlo simulations. We found that the magnetic interaction drives the SC transition leading to re-entrant magnetic and first-order SC transitions.

cond-mat.mtrl-sci↗

arXiv2005

Dynamical Aspects of Photoinduced Magnetism and Spin-Crossover phenomena in Prussian Blue Analogs

We present dynamical properties of spin crossover compounds with photomagnetization, proposing a new model in which the spin-crossover phenomena and magnetic ordering are incorporated in a unified way. By using this model, the novel characteristics observed in Prussian blue analogs are qualitatively well reproduced. We investigate the time evolution of the magnetization and high spin fraction taking into account multi-time scales in a master equation approach for the magnetic relaxation, the lattice (electronic) relaxation, and the photoexcitation process. In particular, processes with different temperature cycles starting from the photoinduced saturated magnetic state are studied including the effect of photoirradiation. In the temperature cycle in the low temperature region where the high spin state has a strong metastability, the magnetization almost exactly follows the quasi-static process. On the other hand, when the temperature is raised above the region, the dynamics of the spin state and the magnetization couple and exhibit various types of dynamical cooperative phenomena under time-dependent control of temperature and photoirradiation.

cond-mat.mtrl-sci↗

arXiv2004

Quantum fluctuation induced ordered phase in the Blume-Capel model

We consider the Blume-Capel model with the quantum tunneling between the excited states. We find a magnetically ordered phase transition induced by quantum fluctuation in a model. The model has no phase transition in the corresponding classical case. Usually, quantum fluctuation breaks ordered phase as in the case of the transverse field Ising model. However, in present case, an ordered phase is induced by quantum fluctuation. Moreover, we find a phase transition between a quantum paramagnetic phase and a classical diamagnetic phase at zero temperature. We study the properties of the phase transition by using a mean field approximation (MFA), and then, by a quantum Monte Carlo method to confirm the result of the MFA.

cond-mat.stat-mech↗

arXiv2004

Quantum Fluctuation-Induced Phase Transition in S=1/2 XY-like Heisenberg Antiferromagnets on the Triangular Lattice

The selection of the ground state among nearly degenerate states due to quantum fluctuations is studied for the S=1/2 XY-like Heisenberg antiferromagnets on the triangular lattice in the magnetic field applied along the hard axis, which was first pointed out by Nikuni and Shiba. We find that the selected ground state sensitively depends on the degree of the anisotropy and the magnitude of the magnetic field. This dependence is similar to that in the corresponding classical model at finite temperatures where various types of field induced phases appear due to the entropy effect. It is also found that the similarity of the selected states in the classical and quantum models are not the case in a two-leg ladder lattice, although the lattice consists of triangles locally and the ground state of this lattice in the classical case is the same as that of the triangular lattice.

cond-mat.str-el↗

arXiv2003

A Theory of Ferroelectric Phase Transition in SrTiO$_3$ induced by Isotope Replacement

A theory to describe the dielectric anomalies and the ferroelectric phase transition induced by oxygen isotope replacement in SrTiO$_3$ is developed. The proposed model gives consistent explanation between apparently contradictory experimental results on macroscopic dielectric measurements versus microscopic lattice dynamical measurements by neutron scattering studies. The essential feature is described by a 3-state quantum order-disorder system characterizing the degenerated excited states in addition to the ground state of TiO$_6$ cluster. The effect of isotope replacement is taken into account through the tunneling frequency between the excited states. The dielectric properties are analyzed by the mean field approximation (MFA), which gives qualitative agreements with experimental results throughout full range of the isotope concentration.The phase diagram in the temperature-tunneling frequencycoordinate is studied by a QMC method to confirm the qualitative validity of the MFA analysis.

cond-mat.stat-mech↗

arXiv2003

Ordered Phases and Phase Transitions in The Stacked Triangular Ising Antiferromagnet CsCoCl$_{3}$ and CsCoBr$_{3}$

We study the ordered phases and the phase transitions in the stacked triangular antiferromagnetic Ising (STAFI) model with strong interplane coupling modeling CsCoCl$_3$ and CsCoBr$_3$. We find that there exists an intermediate phase which consists of a single phase of so-called partial disordered (PD) type, and confirm the stability of this phase. The low temperature phase of this model is so-called two-sublattice ferri magnetic phase. The phase transition between the PD phase and two-sublattice ferri magnetic phase is of the first order. This sequence of the phases is homomorphic as that in the three-dimensional generalized six-state clock model which have the same symmetry of the STAFI model. By studying distributions of domain walls in one dimensional chains connecting layered triangular lattices, we clarify the nature of the phase transition and give an interpretation of little anomaly of the specific heat.

cond-mat.stat-mech↗

arXiv2003

Wave Packet Propagation and Electric Conductivity of Nanowires

We compute the electric conductivity of nanowires in the presence of magnetic domain walls by the method of wave packet propagation. We demonstrate that the propagation through the wire depends on the initial state used in the wave packet simulation. We propose a procedure, based on the Landauer formula, to reduce this dependence. Direct numerical calculations of the Kubo formula for small individual systems are used as reference data for the proposed procedure. The enhancement of the conductivity in the magnetic domain wall is found in the present method in accordance with the previous perturbative analysis.

cond-mat.mes-hall↗

arXiv2003

Quantum Narrowing Effect in a Spin-Peierls System with Quantum Lattice Fluctuation

We investigate a one-dimensional S=1/2 antiferromagnetic Heisenberg model coupled to quantum lattice vibration using a quantum Monte Carlo method. We study the ground-state lattice fluctuation where the system shows a characteristic structure factor. We also study the mass dependence of magnetic properties such as the magnetic susceptibility and the magnetic excitation spectrum. For heavy mass, the system shows the same behavior as the case of classical lattice vibration. On the other hand, for light mass, magnetic properties coincide with those of the static uniform chain. We investigate the physical mechanism of this behavior and propose the picture of quantum narrowing.

cond-mat.stat-mech↗

arXiv2002

Characterization of the Energy Structure and Adiabatic Magnetization Process of V15

The energy structure of the V$_{15}$ is studied using exact diagonalization methods, and the adiabatic changes of the magnetization in the system with the sweeping field are investigated. We confirm that the Dzyaloshinskii-Moriya interaction leads to an energy gap which allows the adiabatic change of the magnetization which has been found experimentally by Chiorescu et al., and also predict novel dynamics of the magnetization due to this energy level structure.

cond-mat.mes-hall↗

arXiv2002

Enhancement of the Thermal Conductivity in gapped Quantum Spin Chains

We study mechanism of magnetic energy transport, motivated by recent measurements of the thermal conductivity in low dimensional quantum magnets. We point out a possible mechanism of enhancement of the thermal conductivity in gapped magnetic system, where the magnetic energy transport plays a crucial role. This mechanism gives an interpretation for the recent experiment of CuGeO_3, where the thermal conductivity depends on the crystal direction.

cond-mat.mtrl-sci↗