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6 papers · 2 filters
High-frequency electron paramagnetic resonance investigation of the Fe3+ impurity center in polycrystalline PbTiO3 in its ferroelectric phase
Hrvoje Mestric, Ruediger-A. Eichel, Klaus-P. Dinse +3
The intrinsic iron(III) impurity center in polycrystalline lead titanate was investigated by means of high-frequency electron paramagnetic resonance (EPR) spectroscopy in order to…
Incommensurate Transverse Anisotropy Induced by Disorder and Spin-Orbit-Vibron Coupling in Mn12-acetate
Kyungwha Park, Mark R. Pederson, Tunna Baruah +7
It has been shown within density-functional theory that in Mn-acetate there are effects due to disorder by solvent molecules and a coupling between vibrational and electroni…
Effects of lateral diffusion on morphology and dynamics of a microscopic lattice-gas model of pulsed electrodeposition
Stefan Frank, Daniel E. Roberts, Per Arne Rikvold
The influence of nearest-neighbor diffusion on the decay of a metastable low-coverage phase (monolayer adsorption) in a square lattice-gas model of electrochemical metal deposition…
First-principles calculations for the adsorption of water molecules on the Cu(100) surface
Sanwu Wang, Yanzhao Cao, P. A. Rikvold
First-principles density-functional theory and supercell models are employed to calculate the adsorption of water molecules on the Cu(100) surface. In agreement with the experiment…
Determination of the basic timescale in kinetic Monte Carlo simulations by comparison with cyclic-voltammetry experiments
I. Abou Hamad, P. A. Rikvold, G. Brown
While kinetic Monte Carlo simulations can provide long-time simulations of the dynamics of physical and chemical systems, it is not yet possible in general to identify the inverse…
Percolation and Colossal Magnetoresistance in Eu-based Hexaborides
G. A. Wigger, C. Beeli, E. Felder +3
Upon substituting Ca for Eu in the local-moment ferromagnet EuB, the Curie temperature decreases substantially with increasing dilution of the magnetic sublattice and is…