Electric-Field Gradient at Cd Impurities in In2o3. A FLAPW Study

We report an ab initio study of the electric-field gradient tensor (EFG) at Cd impurities located at both inequivalent cationic sites in the semiconductor In2O3. Calculations were performed with the FLAPW method, that allows us to treat the electronic structure of the doped system and the atomic relaxations introduced by the impurities in the host lattice in a fully self-consistent way. From our results for the EFG (in excellent agreement with the experiments), it is clear that the problem of the EFG at impurities in In2O3 cannot be described by the point-charge model and antishielding factors.Comment: 4 pages, 2 figures, and 2 table

Fourier law, phase transitions and the stationary Stefan problem

We study the one-dimensional stationary solutions of an integro-differential equation derived by Giacomin and Lebowitz from Kawasaki dynamics in Ising systems with Kac potentials, \cite{GiacominLebowitz}. We construct stationary solutions with non zero current and prove the validity of the Fourier law in the thermodynamic limit showing that below the critical temperature the limit equilibrium profile has a discontinuity (which defines the position of the interface) and satisfies a stationary free boundary Stefan problem. Under-cooling and over-heating effects are also studied. We show that if metastable values are imposed at the boundaries then the mesoscopic stationary profile is no longer monotone and therefore the Fourier law is not satisfied. It regains however its validity in the thermodynamic limit where the limit profile is again monotone away from the interface

Symmetric simple exclusion process with free boundaries

We consider the one dimensional symmetric simple exclusion process (SSEP) with additional births and deaths restricted to a subset of configurations where there is a leftmost hole and a rightmost particle. At a fixed rate birth of particles occur at the position of the leftmost hole and at the same rate, independently, the rightmost particle dies. We prove convergence to a hydrodynamic limit and discuss its relation with a free boundary problem.Comment: 29 pages, 4 figure

Phase Transitions in Ferromagnetic Ising Models with spatially dependent magnetic fields

In this paper we study the nearest neighbor Ising model with ferromagnetic interactions in the presence of a space dependent magnetic field which vanishes as $|x|^{-\alpha}$, $\alpha >0$, as $|x|\to \infty$. We prove that in dimensions $d\ge 2$ for all $\beta$ large enough if $\alpha>1$ there is a phase transition while if $\alpha<1$ there is a unique DLR state.Comment: to appear in Communications in Mathematical Physic

XAS study of the local environment of impurities in doped TiO2 thin films

In this work we present an X-ray Absorption Spectroscopy characterization of the local environment of the impurity in room temperature ferromagnetic anatase TiO2 thin films doped with Co, Ni, Cu, or Zn, deposited on LaAlO3 substrate by Pulsed Laser Deposition. It was found that there is a considerable amount of impurity atoms substituting Ti in TiO2 anatase, although the presence of metal transition monoxide clusters can not be discarded. From our results we infer that the observed room temperature ferromagnetism of the samples could be assigned to the metal transition atoms replacing Ti in TiO2 anatase.Comment: 4 pages, 3 figures, 1 table, Physica B (in press