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We perform large scale finite-temperature Monte Carlo simulations of the classical e(g) and t(2g) orbital models on the simple cubic lattice in three dimensions. The e(g) model displays a continuous phase transition to an orbitally ordered phase. While the ...
The properties of the cluster HenV, an iron vacancy with an increasing number of He atoms, is studied with molecular statics and molecular dynamics simulations. A study of the binding energy of the self-interstitial atom (SIA) and the He, shows that from n ...
The mutual interplay between superlattice structures, band filling factors, and spin-orbit coupling results in a highly correlated electronic spin and charge state found for an array of atomic Pb wires grown on Si(557). By means of spin-and angle-resolved ...
We consider a random walk in an i.i.d. non-negative potential on the d-dimensional integer lattice. The walk starts at the origin and is conditioned to hit a remote location y on the lattice. We prove that the expected time under the annealed path measure ...
Auxetic materials expand when stretched, and shrink when compressed. This is the result of a negative Poisson's ratio ν. Isotropic configurations with ν≈−1 have been designed and are expected to provide increased shear stiffness G. This assumes that Young' ...
Among the efficient numerical methods based on atomistic models, the quasi-continuum (QC) method has attracted growing interest in recent years. The QC method was first developed for crystalline materials with Bravais lattice and was later extended to mult ...
The influence of oxygen content on the properties of cathodic arc-deposited AlCr(OxN1-x) coatings has been studied. All samples were prepared in a nitrogen-rich mixture of N-2 and O-2 at 550 degrees C using lateral rotating arc cathodes (LARC) technology t ...
We examined by low-energy electron diffraction and scanning tunneling microscopy the surface of thin Cu films on Pt(111). The Cu/Pt lattice mismatch induces a moire modulation for films from 3 to about 10 ML thickness. We used angle-resolved photoemission ...
The charge-flipping algorithm in its band-flipping variant is capable of ab initio reconstructions of scattering densities with positive and negative values. It is shown that the method can be applied to reconstructions of difference electron densities of ...
We provide strong evidence that the S = 1 bilinear-biquadratic Heisenberg model with nearest-neighbor interactions on the square lattice possesses an extended three-sublattice phase induced by quantum fluctuations for sufficiently large biquadratic interac ...
