Interface relaxation and electrostatic charge depletion in the oxide heterostructure LaAlO3/SrTiO3

Performing an analysis within density functional theory, we develop insight into the structural and electronic properties of the oxide heterostructure LaAlO3/SrTiO3. Electrostatic surface effects are decomposed from the internal lattice distortion in order to clarify their interplay. We first study the interface relaxation by a multi-layer system without surface, and the surface effects, separately, by a substrate-film system. While elongation of the TiO6 octahedra at the interface enhances the metallicity, reduction of the film thickness has the opposite effect due to a growing charge depletion. The interplay of these two effects, as reflected by the full lattice relaxation in the substrate-film system, however, strongly depends on the film thickness. An inversion of the TiO6 distortion pattern for films thinner than four LaAlO3 layers results in an insulating state.Comment: 10 pages, 7 figures, accepted by Europhysics Letter

Self-assembled Pt nanowires on Ge(001): Relaxation effects

Absorption of Pt on the Ge(001) surface results in stable self-organized Pt nanowires, extending over some hundred nanometers. Based on band structure calculations within density functional theory and the generalized gradient approximation, the structural relaxation of the Ge--Pt surface is investigated. The surface reconstruction pattern obtained agrees well with findings from scanning tunneling microscopy. In particular, strong Pt--Pt dimerization is characteristical for the nanowires. The surface electronic structure is significantly perturbed due to Ge--Pt interaction, which induces remarkable shifts of Ge states towards the Fermi energy. As a consequence, the topmost Ge layers are subject to a metal-insulator transition.Comment: 4 pages, 2 figures, final version accepted by Europhys. Lett., minor modifications of the tex

Magnetic ground state of coupled edge-sharing CuO_2 spin-chains

By means of density functional theory, we investigate the magnetic ground state of edge-sharing CuO_2 spin-chains, as found in the (La,Ca,Sr)_14Cu_24O_41system, for instance. Our data rely on spin-polarized electronic structure calculations including onsite interaction (LDA+U) and an effective model for the interchain coupling. Strong doping dependence of the magnetic order is characteristic for edge-sharing CuO_2 spin-chains. We determine the ground state magnetic structure as function of the spin-chain filling and quantify the competing exchange interactions.Comment: 5 pages, 2 figures, 3 tables, accepted by Phys. Rev. Let

One-dimensional Hubbard model at quarter filling on periodic potentials

Using the Hubbard chain at quarter filling as a model system, we study the ground state properties of highly doped antiferromagnets. In particular, the Hubbard chain at quarter filling is unstable against 2k_F- and 4k_F-periodic potentials, leading to a large variety of charge and spin ordered ground states. Employing the density matrix renormalization group method, we compare the energy gain of the ground state induced by different periodic potentials. For interacting systems the lowest energy is found for a 2k_F-periodic magnetic field, resulting in a band insulator with spin gap. For strong interaction, the 4k_F-periodic potential leads to a half-filled Heisenberg chain and thus to a Mott insulating state without spin gap. This ground state is more stable than the band insulating state caused by any non-magnetic 2k_F-periodic potential. Adding more electrons, a cluster-like ordering is preferred.Comment: 8 pages, 5 figures, accepted by Phys. Rev.

Terrestrial and Solar Limits on Long-Lived Particles in a Dark Sector

Dark matter charged under a new gauge sector, as motivated by recent data, suggests a rich GeV-scale "dark sector" weakly coupled to the Standard Model by gauge kinetic mixing. The new gauge bosons can decay to Standard Model leptons, but this mode is suppressed if decays into lighter dark sector particles are kinematically allowed. These particles in turn typically have macroscopic decay lifetimes that are constrained by two classes of experiments, which we discuss. Lifetimes of 10 cm < c tau < 10^8 cm are constrained by existing terrestrial beam-dump experiments. If, in addition, dark matter captured in the Sun (or Earth) annihilates into these particles, lifetimes up to 10^15 cm are constrained by solar observations. These bounds span fourteen orders of magnitude in lifetime, but they are not exhaustive. Accordingly, we identify promising new directions for experiments including searches for displaced di-muons in B-factories, studies at high-energy and -intensity proton beam dumps, precision gamma-ray and electronic measurements of the Sun, and milli-charge searches re-analyzed in this new context.Comment: 9 pages, 9 figure

Magnetic ordering in the striped nickelate La5/3Sr1/3NiO4: A band structure point of view

We report on a comprehensive study of the electronic and magnetic structure of the striped nickelate La5/3Sr1/3NiO4. The investigation is carried out using band structure calculations based on density functional theory. A magnetic structure compatible with experiment is obtained from spin-polarized calculations within the generalized gradient approximation (GGA), whereas inclusion of a local Coulomb interaction in the LDA+U framework results in a different ground state. The influence of the various interaction parameters is discussed in detail.Comment: 5 pages, 4 figures, 2 tables, accepted by Europhys. Let

On the Origin of Light Dark Matter Species

TeV-mass dark matter charged under a new GeV-scale gauge force can explain electronic cosmic-ray anomalies. We propose that the CoGeNT and DAMA direct detection experiments are observing scattering of light stable states -- "GeV-Matter" -- that are charged under this force and constitute a small fraction of the dark matter halo. Dark higgsinos in a supersymmetric dark sector are natural candidates for GeV-Matter that scatter off protons with a universal cross-section of 5 x 10^{-38} cm^2 and can naturally be split by 10-30 keV so that their dominant interaction with protons is down-scattering. As an example, down-scattering of an O(5) GeV dark higgsino can simultaneously explain the spectra observed by both CoGeNT and DAMA. The event rates in these experiments correspond to a GeV-Matter abundance of 0.2-1% of the halo mass density. This abundance can arise directly from thermal freeze-out at weak coupling, or from the late decay of an unstable TeV-scale WIMP. Our proposal can be tested by searches for exotics in the BaBar and Belle datasets.Comment: 31 text pages, 4 figures, revision includes corrected Germanium quenching factor and clarified text in Sec.