The suppression of superconductivity in Mn substituted MgCNi3_{3}

We report the effect of doping Mn in the isostructural MgCNi$_{3-x}$Mn$_{x}$ (x = 0-0.05) compounds. Magnetic susceptibility, resistivity, magneto-resistance, and specific heat studies show evidence of localized moments and Kondo effect in samples with x$\neq$0. The rapid suppression of superconductivity ($\sim$ -21K/at.% Mn) in these compounds is a consequence of pair breaking effects due to moment formation on Mn.Comment: 9 figures, Accepted for publication in Physical Review B, Added reference

Adaptive Resolution Molecular Dynamics Simulation: Changing the Degrees of Freedom on the Fly

We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the rest of the system. Our method allows an on-the-fly interchange between a given molecule's atomic and coarse-grained level of description, enabling us to reach large length and time scales while spatially retaining atomistic details of the system. The new approach is tested on a model system of a liquid of tetrahedral molecules. The simulation box is divided into two regions: one containing only atomistically resolved tetrahedral molecules, the other containing only one particle coarse-grained spherical molecules. The molecules can freely move between the two regions while changing their level of resolution accordingly. The coarse-grained and the atomistically resolved systems have the same statistical properties at the same physical conditions.Comment: 17 pages, 11 figures, 5 table

Normal origamis of Mumford curves

An origami (also known as square-tiled surface) is a Riemann surface covering a torus with at most one branch point. Lifting two generators of the fundamental group of the punctured torus decomposes the surface into finitely many unit squares. By varying the complex structure of the torus one obtains easily accessible examples of Teichm\"uller curves in the moduli space of Riemann surfaces. The p-adic analogues of Riemann surfaces are Mumford curves. A p-adic origami is defined as a covering of Mumford curves with at most one branch point, where the bottom curve has genus one. A classification of all normal non-trivial p-adic origamis is presented and used to calculate some invariants. These can be used to describe p-adic origamis in terms of glueing squares.Comment: 21 pages, to appear in manuscripta mathematica (Springer

Lattice and polarizability mediated spin activity in EuTiO_3

EuTiO_3 is shown to exhibit novel strong spin-charge-lattice coupling deep in the paramagnetic phase. Its existence is evidenced by an, until now, unknown response of the paramagnetic susceptibility at temperatures exceeding the structural phase transition temperature T_S = 282K. The "extra" features in the susceptibility follow the rotational soft zone boundary mode temperature dependence above and below T_S. The theoretical modeling consistently reproduces this behavior and provides reasoning for the stabilization of the soft optic mode other than quantum fluctuations.Comment: 8 pages, 4 figure