New effective interaction for pfpf-shell nuclei and its implications for the stability of the NN=ZZ=28 closed core

The effective interaction GXPF1 for shell-model calculations in the full $pf$ shell is tested in detail from various viewpoints such as binding energies, electro-magnetic moments and transitions, and excitation spectra. The semi-magic structure is successfully described for $N$ or Z=28 nuclei, $^{53}$Mn, $^{54}$Fe, $^{55}$Co and $^{56,57,58,59}$Ni, suggesting the existence of significant core-excitations in low-lying non-yrast states as well as in high-spin yrast states. The results of $N=Z$ odd-odd nuclei, $^{54}$Co and $^{58}$Cu, also confirm the reliability of GXPF1 interaction in the isospin dependent properties. Studies of shape coexistence suggest an advantage of Monte Carlo Shell Model over conventional calculations in cases where full-space calculations still remain too large to be practical.Comment: 29pages, 26figures, to be published in Physical Review

Demystification of Mizusaki’s α-factor for the positively-deviated defect behavior of hyperstoichiometric oxides

Many hyperstoichiometric (p-type) ternary or higher oxides of present technological interests, e.g., La1-xSrxCrO3-δ exhibit a positive deviation from the ideal defect structure. Mizusaki et al. [1] could beautifully explain the positively-deviated defect structure by introducing an empirical factor α such as ΔHxs=αδ. Here, ΔHxs stands for the excess enthalpy of oxidation reaction involving oxygen vacancies and holes or 1/2 O2+VO••=OOx+2h• . The authors[1] interpreted this α-factor as representing the interactions among lattice ions and defects, but its true physico-chemical face has since remained a mystery notwithstanding so frequent invoking to the defect chemistry stage. It has recently turned out that this factor corresponds to the first order approximation of the hole-degeneracy effect. We will demystify this α-factor in this line. [1] J. Mizusaki, S, Yamauchi, K. Fueki, and A. Ishikawa, “Nonstoichiometry of the perovskite-type oxide La1-xSrxCrO3-δ,” Solid State Ionics 12 (1984) 119

Effective interaction for pf-shell nuclei

An effective interaction is derived for use in the full pf basis. Starting from a realistic G-matrix interaction, 195 two-body matrix elements and 4 single-particle energies are determined by fitting to 699 energy data in the mass range 47 to 66. The derived interaction successfully describes various structures of pf-shell nuclei. As examples, systematics of the energies of the first 2+ states in the Ca, Ti, Cr, Fe, and Ni isotope chains and energy levels of 56,57,58Ni are presented. The appearance of a new magic number 34 is seen.Comment: 5 pages, 4 figures, to be published in Phys. Rev.

Precise estimation of shell model energy by second order extrapolation method

A second order extrapolation method is presented for shell model calculations, where shell model energies of truncated spaces are well described as a function of energy variance by quadratic curves and exact shell model energies can be obtained by the extrapolation. This new extrapolation can give more precise energy than those of first order extrapolation method. It is also clarified that first order extrapolation gives a lower limit of shell model energy. In addition to the energy, we derive the second order extrapolation formula for expectation values of other observables.Comment: PRC in pres

Quantum-number projection in the path-integral renormalization group method

We present a quantum-number projection technique which enables us to exactly treat spin, momentum and other symmetries embedded in the Hubbard model. By combining this projection technique, we extend the path-integral renormalization group method to improve the efficiency of numerical computations. By taking numerical calculations for the standard Hubbard model and the Hubbard model with next nearest neighbor transfer, we show that the present extended method can extremely enhance numerical accuracy and that it can handle excited states, in addition to the ground state.Comment: 11 pages, 7 figures, submitted to Phys. Rev.

Low-temperature specific heat for ferromagnetic and antiferromagnetic orders in CaRu1-xMnxO3

Low-temperature specific heat of CaRu1-xMnxO3 was measured to clarify the role of d electrons in ferromagnetic and antiferromagnetic orders observed above x=0.2. Specific heat divided by temperature C_p/T is found to roughly follow a T^2 function, and relatively large magnitudes of electronic specific heat coefficient gamma were obtained in wide x range. In particular, gamma is unchanged from the value at x=0 (84 mJ/K^2 mol) in the paramagnetic state for x<=0.1, but linearly reduced with increasing x above x= 0.2. These features of gamma strongly suggest that itinerant d electrons are tightly coupled with the evolution of magnetic orders in small and intermediate Mn concentrations.Comment: 4 pages, 2 figures, to be published in J. Phys.: Conf. Ser. (SCES 2011, Cambridge, UK

Half quantum vortex in superfluid 3^3He-A phase in parallel plate geometry

The half quantum vortex(HQV) in condensate has been studied, since it was predicted by Salomaa and Volovik in superfluid $^3$He-A phase. However, an experimental evidence for its existence has not been reported so far. Motivated by a recent experimental report by Yamashita et al\cite{yamashita}, we study the HQVs in superfluid $^3$He confined between two parallel plates with a gap D $\sim$ 10 $\mu$m in the presence of a magnetic field H $\sim$ 26 mT perpendicular to the parallel plates. We find that the bound HQVs are more stable than the singular vortices and free pairs of HQVs, when the rotation perpendicular to the parallel plates is below the critical speed, $\Omega_c \sim$ 2 rad/s. The bound pair of HQVs accompanies the tilting of ${\hat d}$-vector out of the plane, which leads to an additional absorption in NMR spectra. Our study appears to describe the temperature and rotation dependence of the observed satellite NMR signal, which supports the existence of the HQVs in $^3$He.Comment: 5 pages, 5 figure

Bipolaron Density-Wave Driven By Antiferromagnetic Correlations and Frustration in Organic Superconductors

We describe the Paired Electron Crystal (PEC) which occurs in the interacting frustrated two-dimensional 1/4-filled band. The PEC is a charge-ordered state with nearest-neighbor spin singlets separated by pairs of vacant sites, and can be thought of as a bipolaron density wave. The PEC has been experimentally observed in the insulating state proximate to superconductivity in the organic charge-transfer solids. Increased frustration drives a PEC-to-superconductor transition in these systems.Comment: submitted to Physica B special issue for ISCOM 200

Variational Monte Carlo Study of Electron Differentiation around Mott Transition

We study ground-state properties of the two-dimensional Hubbard model at half filling by improving variational Monte Carlo method and by implementing quantum-number projection and multi-variable optimization. The improved variational wave function enables a highly accurate description of the Mott transition and strong fluctuations in metals. We clarify how anomalous metals appear near the first-order Mott transition. The double occupancy stays nearly constant as a function of the on-site Coulomb interaction in the metallic phase near the Mott transition in agreement with the previous unbiased results. This unconventional metal at half filling is stabilized by a formation of ``electron-like pockets'' coexisting with an arc structure, which leads to a prominent differentiation of electrons in momentum space. An abrupt collapse of the ``pocket'' and ``arc'' drives the first-order Mott transition.Comment: 4 pages, 3 figure