Finite-size Effects in a Two-Dimensional Electron Gas with Rashba Spin-Orbit Interaction

Within the Kubo formalism, we estimate the spin-Hall conductivity in a two-dimensional electron gas with Rashba spin-orbit interaction and study its variation as a function of disorder strength and system size. The numerical algorithm employed in the calculation is based on the direct numerical integration of the time-dependent Schrodinger equation in a spin-dependent variant of the particle source method. We find that the spin-precession length, L_s controlled by the strength of the Rashba coupling, establishes the critical lengthscale that marks the significant reduction of the spin-Hall conductivity in bulk systems. In contrast, the electron mean free path, inversely proportional to the strength of disorder, appears to have only a minor effect.Comment: 5 pages, 3 figure

Algorithm for Linear Response Functions at Finite Temperatures: Application to ESR spectrum of s=1/2 Antiferromagnet Cu benzoate

We introduce an efficient and numerically stable method for calculating linear response functions $\chi(\vec{q},\omega)$ of quantum systems at finite temperatures. The method is a combination of numerical solution of the time-dependent Schroedinger equation, random vector representation of trace, and Chebyshev polynomial expansion of Boltzmann operator. This method should be very useful for a wide range of strongly correlated quantum systems at finite temperatures. We present an application to the ESR spectrum of s=1/2 antiferromagnet Cu benzoate.Comment: 4 pages, 4 figure

Solid helium at high pressure: A path-integral Monte Carlo simulation

Solid helium (3He and 4He) in the hcp and fcc phases has been studied by path-integral Monte Carlo. Simulations were carried out in the isothermal-isobaric (NPT) ensemble at pressures up to 52 GPa. This allows one to study the temperature and pressure dependences of isotopic effects on the crystal volume and vibrational energy in a wide parameter range. The obtained equation of state at room temperature agrees with available experimental data. The kinetic energy, E_k, of solid helium is found to be larger than the vibrational potential energy, E_p. The ratio E_k/E_p amounts to about 1.4 at low pressures, and decreases as the applied pressure is raised, converging to 1, as in a harmonic solid. Results of these simulations have been compared with those yielded by previous path integral simulations in the NVT ensemble. The validity range of earlier approximations is discussed.Comment: 7 pages, 5 figure

Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamond

Quantum-mechanical molecular-dynamics simulations are carried out to explore possible precursor states of nano-polycrystalline diamond, a novel ultra-hard material produced directly from graphite. Large-scale simulation with 10^5 atoms is realized by using the ' order-N' simulation code 'ELSES' (http://www.elses.jp). The simulation starts with a diamond structure that contains initial structural defects and results in a mixture of graphite(sp^2)-like and diamond(sp^3)-like regions as nano-meter-scale domains. We speculate that the domains are metastable and are possible candidates of the precursor structures.Comment: 4 pages 2 figures. A PDF file in better graphics is available at http://www.elses.jp

Quantum Dynamics of Spin Wave Propagation Through Domain Walls

Through numerical solution of the time-dependent Schrodinger equation, we demonstrate that magnetic chains with uniaxial anisotropy support stable structures, separating ferromagnetic domains of opposite magnetization. These structures, domain walls in a quantum system, are shown to remain stable if they interact with a spin wave. We find that a domain wall transmits the longitudinal component of the spin excitations only. Our results suggests that continuous, classical spin models described by LLG equation cannot be used to describe spin wave-domain wall interaction in microscopic magnetic systems

Truncated correlations in video microscopy of colloidal solids

Studies by video microscopy on fluctuating colloids measure the real-space cross-correlations in particle motion. This set of correlations is then treated as a matrix, in order to study the spectrum and mode structure. We show that in general the modes are modified by the truncation of the full real-space correlations. We perform a theoretical analysis of the truncation, find the boundary conditions imposed by the truncation, and propose practical windowing strategies to eliminate artefacts. We study the problem from various perspectives, to compile a survey for experimentalists.Comment: 11 pages, 9 figure

Fast algorithm for calculating two-photon absorption spectra

We report a numerical calculation of the two-photon absorption coefficient of electrons in a binding potential using the real-time real-space higher-order difference method. By introducing random vector averaging for the intermediate state, the task of evaluating the two-dimensional time integral is reduced to calculating two one-dimensional integrals. This allows the reduction of the computation load down to the same order as that for the linear response function. The relative advantage of the method compared to the straightforward multi-dimensional time integration is greater for the calculation of non-linear response functions of higher order at higher energy resolution.Comment: 4 pages, 2 figures. It will be published in Phys. Rev. E on 1, March, 199

Time-dependent properties of proton decay from crossing single-particle metastable states in deformed nuclei

A dynamical study of the decay of a metastable state by quantum tunneling through an anisotropic, non separable, two-dimensional potential barrier is performed by the numerical solution of the time-dependent Schrodinger equation. Initial quasi- stationary proton states are chosen in the framework of a deformed Woods-Saxon single-particle model. The decay of two sets of states corresponding to true and quasi levels-crossing is studied and the evolution of their decay properties as a function of nuclear deformation is calculated around the crossing point. The results show that the investigation of the proton decay from metastable states in deformed nuclei can unambiguously distinguish between the two types of crossing and determine the structure of the nuclear states involved.Comment: 15 pages, 9 figures, submitted to Phys. Rev.

Origin of the Canonical Ensemble: Thermalization with Decoherence

We solve the time-dependent Schrodinger equation for the combination of a spin system interacting with a spin bath environment. In particular, we focus on the time development of the reduced density matrix of the spin system. Under normal circumstances we show that the environment drives the reduced density matrix to a fully decoherent state, and furthermore the diagonal elements of the reduced density matrix approach those expected for the system in the canonical ensemble. We show one exception to the normal case is if the spin system cannot exchange energy with the spin bath. Our demonstration does not rely on time-averaging of observables nor does it assume that the coupling between system and bath is weak. Our findings show that the canonical ensemble is a state that may result from pure quantum dynamics, suggesting that quantum mechanics may be regarded as the foundation of quantum statistical mechanics.Comment: 12 pages, 4 figures, accepted for publication by J. Phys. Soc. Jp

An efficient scheme for numerical simulations of the spin-bath decoherence

We demonstrate that the Chebyshev expansion method is a very efficient numerical tool for studying spin-bath decoherence of quantum systems. We consider two typical problems arising in studying decoherence of quantum systems consisting of few coupled spins: (i) determining the pointer states of the system, and (ii) determining the temporal decay of quantum oscillations. As our results demonstrate, for determining the pointer states, the Chebyshev-based scheme is at least a factor of 8 faster than existing algorithms based on the Suzuki-Trotter decomposition. For the problems of second type, the Chebyshev-based approach has been 3--4 times faster than the Suzuki-Trotter-based schemes. This conclusion holds qualitatively for a wide spectrum of systems, with different spin baths and different Hamiltonians.Comment: 8 pages (RevTeX), 3 EPS figure