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This thesis is concerned with the theoretical study of the physical characteristics of metallic surfaces. Ab initio quantum calculations are performed to determine the electronic properties of clean elemental metal surfaces, fully accounting for the materi ...
The structure of amorphous NaCl solutions produced by fast quenching is studied as a function of pressure, up to 4 GPa, by combined neutron diffraction experiments and classical molecular dynamics simulations. Similarly to LiCl solutions the system amorphi ...
We present a numerical study of the SU(N) Heisenberg model with the fundamental representation at each site for the kagome lattice (for N = 3) and the checkerboard lattice (for N = 4), which are the line graphs of the honeycomb and square lattices and thus ...
We report the synthesis of single crystals of a novel layered iridate Ba21Ir9O43 and present the crystallographic, transport, and magnetic properties of this material. The compound has a hexagonal structure with two iridium oxide layers stacked along the c ...
We construct a new family of lattice packings for superballs in three dimensions (unit balls for the l(3)(p) norm) with p epsilon (1, 1.58]. We conjecture that the family also exists for p epsilon (1.58, log(2) 3 = 1.5849625 ...]. Like in the densest latti ...
Our goal is to reconstruct both the shape and reflectance properties of surfaces from multiple images. To this end, we introduce an object-centered representation, specifically, a hexagonally-connected 3-D mesh of vertices with triangular facets. Such a re ...
The structure of a crystal of natural melilite from San Venanzo, Umbria (Italy) of the general formula X(2)T1(T2)(2)O-7, where X = Ca0.945Sr0.005Na0.04K0.01, T1 = Mg0.92Al0.08 and T2 = Si0.99Al0.01, has been solved and refined as an incommensurate structur ...