Flexible control of the Peierls transition in metallic C60_{60} polymers

The metal-semiconductor transition of peanut-shaped fullerene (C$_{60}$) polymers is clarified by considering the electron-phonon coupling in the uneven structure of the polymers. We established a theory that accounts for the transition temperature $T_c$ reported in a recent experiment and also suggests that $T_c$ is considerably lowered by electron doping or prolonged irradiation during synthesis. The decrease in $T_c$ is an appealing phenomenon with regard to realizing high-conductivity C$_{60}$-based nanowires even at low temperatures.Comment: 3 pages, 3 figure

Antisymmetrized molecular dynamics with quantum branching processes for collisions of heavy nuclei

Antisymmetrized molecular dynamics (AMD) with quantum branching processes is reformulated so that it can be applicable to the collisions of heavy nuclei such as Au + Au multifragmentation reactions. The quantum branching process due to the wave packet diffusion effect is treated as a random term in a Langevin-type equation of motion, whose numerical treatment is much easier than the method of the previous papers. Furthermore a new approximation formula, called the triple-loop approximation, is introduced in order to evaluate the Hamiltonian in the equation of motion with much less computation time than the exact calculation. A calculation is performed for the Au + Au central collisions at 150 MeV/nucleon. The result shows that AMD almost reproduces the copious fragment formation in this reaction.Comment: 24 pages, 5 figures embedde

Antisymmetrized molecular dynamics of wave packets with stochastic incorporation of Vlasov equation

On the basis of the antisymmetrized molecular dynamics (AMD) of wave packets for the quantum system, a novel model (called AMD-V) is constructed by the stochastic incorporation of the diffusion and the deformation of wave packets which is calculated by Vlasov equation without any restriction on the one-body distribution. In other words, the stochastic branching process in molecular dynamics is formulated so that the instantaneous time evolution of the averaged one-body distribution is essentially equivalent to the solution of Vlasov equation. Furthermore, as usual molecular dynamics, AMD-V keeps the many-body correlation and can naturally describe the fluctuation among many channels of the reaction. It is demonstrated that the newly introduced process of AMD-V has drastic effects in heavy ion collisions of 40Ca + 40Ca at 35 MeV/nucleon, especially on the fragmentation mechanism, and AMD-V reproduces the fragmentation data very well. Discussions are given on the interrelation among the frameworks of AMD, AMD-V and other microscopic models developed for the nuclear dynamics.Comment: 26 pages, LaTeX with revtex and epsf, embedded postscript figure

Compatibility of localized wave packets and unrestricted single particle dynamics for cluster formation in nuclear collisions

Antisymmetrized molecular dynamics with quantum branching is generalized so as to allow finite time duration of the unrestricted coherent mean field propagation which is followed by the decoherence into wave packets. In this new model, the wave packet shrinking by the mean field propagation is respected as well as the diffusion, so that it predicts a one-body dynamics similar to that in mean field models. The shrinking effect is expected to change the diffusion property of nucleons in nuclear matter and the global one-body dynamics. The central \xenon+\tin collisions at 50 MeV/nucleon are calculated by the models with and without shrinking, and it is shown that the inclusion of the wave packet shrinking has a large effect on the multifragmentation in a big expanding system with a moderate expansion velocity.Comment: 16 pages, 7 figure

Nonequilibrium spin distribution in single-electron transistor

Single-electron transistor with ferromagnetic outer electrodes and nonmagnetic island is studied theoretically. Nonequilibrium electron spin distribution in the island is caused by tunneling current. The dependencies of the magnetoresistance ratio $\delta$ on the bias and gate voltages show the dips which are directly related to the induced separation of Fermi levels for electrons with different spins. Inside a dip $\delta$ can become negative.Comment: 11 pages, 2 eps figure

Geometry and Conductance of Al Wires Suspended between Semi-Infinite Crystalline Electrodes

We present a first-principles study of a coherent relationship between the optimized geometry and conductance of a three-aluminum-atom wire during its elongation process. Our simulation employs the most definite model including semi-infinite crystalline electrodes using the overbridging boundary-matching method [Phys. Rev. B {\bf 67}, 195315 (2003)] extended to incorporate nonlocal pseudopotentials. The results that the conductance of the wire is $\sim$ 1 G$_0$ and the conductance trace as a function of electrode spacing shows a convex downward curve before breaking are in agreement with experimental data.Comment: 5 pages and 3 figure

First-Principles Study on Leakage Current through Si/SiO2_2 Interface

The relationship between the presence of defects at the stacking structure of the Si/SiO$_2$ interface and leakage current is theoretically studied by first-principles calculation. I found that the leakage current through the interface with dangling bonds is 530 times larger than that without any defects, which is expected to lead to dielectric breakdown. The direction of the dangling bonds is closely related to the performance of the oxide as an insulator. In addition, it is proved that the termination of the dangling bonds by hydrogen atoms is effective for reducing the leakage current.Comment: 11 pages. to be published in Phys. Rev.

Spin Polarization and Magneto-Coulomb Oscillations in Ferromagnetic Single Electron Devices

The magneto-Coulomb oscillation, the single electron repopulation induced by external magnetic field, observed in a ferromagnetic single electron transistor is further examined in various ferromagnetic single electron devices. In case of double- and triple-junction devices made of Ni and Co electrodes, the single electron repopulation always occurs from Ni to Co electrodes with increasing a magnetic field, irrespective of the configurations of the electrodes. The period of the magneto-Coulomb oscillation is proportional to the single electron charging energy. All these features are consistently explained by the mechanism that the Zeeman effect induces changes of the Fermi energy of the ferromagnetic metal having a non-zero spin polarizations. Experimentally determined spin polarizations are negative for both Ni and Co and the magnitude is larger for Ni than Co as expected from band calculations.Comment: 4 pages, 3 figures, uses jpsj.sty, submitted to J. Phys. Soc. Jp