Jahn-Teller stabilization of a "polar" metal oxide surface: Fe3O4(001)

Using ab initio thermodynamics we compile a phase diagram for the surface of Fe3O4(001) as a function of temperature and oxygen pressures. A hitherto ignored polar termination with octahedral iron and oxygen forming a wave-like structure along the [110]-direction is identified as the lowest energy configuration over a broad range of oxygen gas-phase conditions. This novel geometry is confirmed in a x-ray diffraction analysis. The stabilization of the Fe3O4(001)-surface goes together with dramatic changes in the electronic and magnetic properties, e.g., a halfmetal-to-metal transition.Comment: 4 pages, 4 figure

Mean parameter model for the Pekar-Fr\"{o}hlich polaron in a multilayered heterostructure

The polaron energy and the effective mass are calculated for an electron confined in a finite quantum well constructed of $GaAs/Al_x Ga_{1-x} As$ layers. To simplify the study we suggest a model in which parameters of a medium are averaged over the ground-state wave function. The rectangular and the Rosen-Morse potential are used as examples. To describe the confined electron properties explicitly to the second order of perturbations in powers of the electron-phonon coupling constant we use the exact energy-dependent Green function for the Rosen-Morse confining potential. In the case of the rectangular potential, the sum over all intermediate virtual states is calculated. The comparison is made with the often used leading term approximation when only the ground-state is taken into account as a virtual state. It is shown that the results are quite different, so the incorporation of all virtual states and especially those of the continuous spectrum is essential. Our model reproduces the correct three-dimensional asymptotics at both small and large widths. We obtained a rather monotonous behavior of the polaron energy as a function of the confining potential width and found a peak of the effective mass. The comparison is made with theoretical results by other authors. We found that our model gives practically the same (or very close) results as the explicit calculations for potential widths $L \geq 10 \AA$.Comment: 12 pages, LaTeX, including 5 PS-figures, subm. to Phys. Rev. B, new data are discusse

Gamow Shell Model Description of Neutron-Rich Nuclei

This work presents the first continuum shell-model study of weakly bound neutron-rich nuclei involving multiconfiguration mixing. For the single-particle basis, the complex-energy Berggren ensemble representing the bound single-particle states, narrow resonances, and the non-resonant continuum background is taken. Our shell-model Hamiltonian consists of a one-body finite potential and a zero-range residual two-body interaction. The systems with two valence neutrons are considered. The Gamow shell model, which is a straightforward extension of the traditional shell model, is shown to be an excellent tool for the microscopic description of weakly bound systems. It is demonstrated that the residual interaction coupling to the particle continuum is important; in some cases, it can give rise to the binding of a nucleus.Comment: 4 pages, More realistic s.p. energies used than in the precedent versio

Gap width modification on fully screen-printed coplanar Zn|MnO2 batteries

Fully printed primary zinc-manganese dioxide (Zn|MnO2) batteries in coplanar configuration were fabricated by sequential screen printing. While electrode dimensions and transferred active masses were kept at constant levels, electrode separating gaps were incrementally enlarged from 1 mm to 5 mm. Calendering of solely zinc anodes increased interparticle contact of active material within the electrodes while the porosity of manganese dioxide based electrodes was maintained by non-calendering. Chronopotentiometry revealed areal capacities for coplanar batteries up to 2.8 mAh cm−2. Galvanostatic electrochemical impedance spectroscopy measurements and short circuit measurements were used to comprehensively characterise the effect of gap width extension on bulk electrolyte resistance and charge transfer resistance values. Linear relationships between nominal gap widths, short circuit currents and internal resistances were evidenced, but showed only minor impact on actual discharge capacities. The findings contradict previous assumptions to minimise gap widths of printed coplanar batteries to a sub-millimetre range in order to retain useful discharge capacities. The results presented in this study may facilitate process transfer of printed batteries to an industrial environment

Far-infrared absorption in parallel quantum wires with weak tunneling

We study collective and single-particle intersubband excitations in a system of quantum wires coupled via weak tunneling. For an isolated wire with parabolic confinement, the Kohn's theorem guarantees that the absorption spectrum represents a single sharp peak centered at the frequency given by the bare confining potential. We show that the effect of weak tunneling between two parabolic quantum wires is twofold: (i) additional peaks corresponding to single-particle excitations appear in the absorption spectrum, and (ii) the main absorption peak acquires a depolarization shift. We also show that the interplay between tunneling and weak perpendicular magnetic field drastically enhances the dispersion of single-particle excitations. The latter leads to a strong damping of the intersubband plasmon for magnetic fields exceeding a critical value.Comment: 18 pages + 6 postcript figure

The Aharonov-Bohm effect for an exciton

We study theoretically the exciton absorption on a ring shreded by a magnetic flux. For the case when the attraction between electron and hole is short-ranged we get an exact solution of the problem. We demonstrate that, despite the electrical neutrality of the exciton, both the spectral position of the exciton peak in the absorption, and the corresponding oscillator strength oscillate with magnetic flux with a period $\Phi_0$---the universal flux quantum. The origin of the effect is the finite probability for electron and hole, created by a photon at the same point, to tunnel in the opposite directions and meet each other on the opposite side of the ring.Comment: 13 RevTeX 3.0 pages plus 4 EPS-figures, changes include updated references and an improved chapter on possible experimental realization

Multi-phonon Raman scattering in semiconductor nanocrystals: importance of non-adiabatic transitions

Multi-phonon Raman scattering in semiconductor nanocrystals is treated taking into account both adiabatic and non-adiabatic phonon-assisted optical transitions. Because phonons of various symmetries are involved in scattering processes, there is a considerable enhancement of intensities of multi-phonon peaks in nanocrystal Raman spectra. Cases of strong and weak band mixing are considered in detail. In the first case, fundamental scattering takes place via internal electron-hole states and is participated by s- and d-phonons, while in the second case, when the intensity of the one-phonon Raman peak is strongly influenced by the interaction of an electron and of a hole with interface imperfections (e. g., with trapped charge), p-phonons are most active. Calculations of Raman scattering spectra for CdSe and PbS nanocrystals give a good quantitative agreement with recent experimental results.Comment: 16 pages, 2 figures, E-mail addresses: [email protected], [email protected], [email protected], accepted for publication in Physical Review

Gamow Shell Model Description of Weakly Bound Nuclei and Unbound Nuclear States

We present the study of weakly bound, neutron-rich nuclei using the nuclear shell model employing the complex Berggren ensemble representing the bound single-particle states, unbound Gamow states, and the non-resonant continuum. In the proposed Gamow Shell Model, the Hamiltonian consists of a one-body finite depth (Woods-Saxon) potential and a residual two-body interaction. We discuss the basic ingredients of the Gamow Shell Model. The formalism is illustrated by calculations involving {\it several} valence neutrons outside the double-magic core: $^{6-10}$He and $^{18-22}$O.Comment: 19 pages, 20 encapsulated PostScript figure