Nature of the Mott transition in Ca2RuO4

We study the origin of the temperature-induced Mott transition in Ca2RuO4. As a method we use the local-density approximation+dynamical mean-field theory. We show the following. (i) The Mott transition is driven by the change in structure from long to short c-axis layered perovskite (L-Pbca to S-Pbca); it occurs together with orbital order, which follows, rather than produces, the structural transition. (ii) In the metallic L-Pbca phase the orbital polarization is ~0. (iii) In the insulating S-Pbca phase the lower energy orbital, ~xy, is full. (iv) The spin-flip and pair-hopping Coulomb terms reduce the effective masses in the metallic phase. Our results indicate that a similar scenario applies to Ca_{2-x}Sr_xRuO_4 (x<0.2). In the metallic x< 0.5 structures electrons are progressively transferred to the xz/yz bands with increasing x, however we find no orbital-selective Mott transition down to ~300 K.Comment: 4 pages, 3 figures; published versio

Nonperturbative Scaling Theory of Free Magnetic Moment Phases in Disordered Metals

The crossover between a free magnetic moment phase and a Kondo phase in low dimensional disordered metals with dilute magnetic impurities is studied. We perform a finite size scaling analysis of the distribution of the Kondo temperature as obtained from a numerical renormalization group calculation of the local magnetic susceptibility and from the solution of the self-consistent Nagaoka-Suhl equation. We find a sizable fraction of free (unscreened) magnetic moments when the exchange coupling falls below a disorder-dependent critical value $J_{\rm c}$. Our numerical results show that between the free moment phase due to Anderson localization and the Kondo screened phase there is a phase where free moments occur due to the appearance of random local pseudogaps at the Fermi energy whose width and power scale with the elastic scattering rate $1/\tau$.Comment: 4 pages, 6 figure

Isomeric states close to doubly magic 132^{132}Sn studied with JYFLTRAP

The double Penning trap mass spectrometer JYFLTRAP has been employed to measure masses and excitation energies for $11/2^-$ isomers in $^{121}$Cd, $^{123}$Cd, $^{125}$Cd and $^{133}$Te, for $1/2^-$ isomers in $^{129}$In and $^{131}$In, and for $7^-$ isomers in $^{130}$Sn and $^{134}$Sb. These first direct mass measurements of the Cd and In isomers reveal deviations to the excitation energies based on results from beta-decay experiments and yield new information on neutron- and proton-hole states close to $^{132}$Sn. A new excitation energy of 144(4) keV has been determined for $^{123}$Cd$^m$. A good agreement with the precisely known excitation energies of $^{121}$Cd$^m$, $^{130}$Sn$^m$, and $^{134}$Sb$^m$ has been found.Comment: 10 pages, 6 figures, submitted to Phys. Rev.

Q_EC values of the Superallowed beta-Emitters 10-C, 34-Ar, 38-Ca and 46-V

The Q_EC values of the superallowed beta+ emitters 10-C, 34-Ar, 38-Ca and 46-V have been measured with a Penning-trap mass spectrometer to be 3648.12(8), 6061.83(8), 6612.12(7) and 7052.44(10) keV, respectively. All four values are substantially improved in precision over previous results.Comment: 9 pages, 7 figures, 5 table

Mass measurements in the vicinity of the doubly-magic waiting point 56Ni

Masses of 56,57Fe, 53Co^m, 53,56Co, 55,56,57Ni, 57,58Cu, and 59,60Zn have been determined with the JYFLTRAP Penning trap mass spectrometer at IGISOL with a precision of dm/m \le 3 x 10^{-8}. The QEC values for 53Co, 55Ni, 56Ni, 57Cu, 58Cu, and 59Zn have been measured directly with a typical precision of better than 0.7 keV and Coulomb displacement energies have been determined. The Q values for proton captures on 55Co, 56Ni, 58Cu, and 59Cu have been measured directly. The precision of the proton-capture Q value for 56Ni(p,gamma)57Cu, Q(p,gamma) = 689.69(51) keV, crucial for astrophysical rp-process calculations, has been improved by a factor of 37. The excitation energy of the proton emitting spin-gap isomer 53Co^m has been measured precisely, Ex = 3174.3(10) keV, and a Coulomb energy difference of 133.9(10) keV for the 19/2- state has been obtained. Except for 53Co, the mass values have been adjusted within a network of 17 frequency ratio measurements between 13 nuclides which allowed also a determination of the reference masses 55Co, 58Ni, and 59Cu.Comment: 14 pages, 13 figures, submitted to Phys. Rev.

Hydrogen isotope exchange in proton-conducting oxides during proton and deuteron irradiation

It has been found that during accelerator beam deuteron irradiation of a proton-conducting oxide containing protium H/D isotope exchange between beam ions and dissolved ions takes place. This isotope exchange was also observed during high-energy proton irradiation of the oxide containing dissolved deuterium atoms. These results provide evidence to a new type of hydrogen isotope exchange. Any appreciable effects of conjugate diffusion of hydrogen and oxygen ions and of the interface processes on the isotope exchange rate were eliminated. In this type of exchange the rate of replacement of H+ by D+ and of D+ by H+ was determined only by the properties of the crystal. The discovered effect was used in our study to obtain experimental data characterizing the dynamic and equilibrium behavior of hydrogen isotopes in the oxide BaZr0.9Y0.1O3 - δ. © 2013 Pleiades Publishing, Ltd

Conformational transitions of heteropolymers in dilute solutions

In this paper we extend the Gaussian self-consistent method to permit study of the equilibrium and kinetics of conformational transitions for heteropolymers with any given primary sequence. The kinetic equations earlier derived by us are transformed to a form containing only the mean squared distances between pairs of monomers. These equations are further expressed in terms of instantaneous gradients of the variational free energy. The method allowed us to study exhaustively the stability and conformational structure of some periodic and random aperiodic sequences. A typical phase diagram of a fairly long amphiphilic heteropolymer chain is found to contain phases of the extended coil, the homogeneous globule, the micro-phase separated globule, and a large number of frustrated states, which result in conformational phases of the random coil and the frozen globule. We have also found that for a certain class of sequences the frustrated phases are suppressed. The kinetics of folding from the extended coil to the globule proceeds through non-equilibrium states possessing locally compacted, but partially misfolded and frustrated, structure. This results in a rather complicated multistep kinetic process typical of glassy systems.Comment: 15 pages, RevTeX, 20 ps figures, accepted for publication in Phys. Rev.