The effect of Fe atoms on the adsorption of a W atom on W(100) surface

We report a first-principles calculation that models the effect of iron (Fe) atoms on the adsorption of a tungsten (W) atom on W(100) surfaces. The adsorption of a W atom on a clean W(100) surface is compared with that of a W atom on a W(100) surface covered with a monolayer of Fe atoms. The total energy of the system is computed as the function of the height of the W adatom. Our result shows that the W atom first adsorbs on top of the Fe monolayer. Then the W atom can replace one of the Fe atoms through a path with a moderate energy barrier and reduce its energy further. This intermediate site makes the adsorption (and desorption) of W atoms a two-step process in the presence of Fe atoms and lowers the overall adsorption energy by nearly 2.4 eV. The Fe atoms also provide a surface for W atoms to adsorb facilitating the diffusion of W atoms. The combination of these two effects result in a much more efficient desorption and diffusion of W atoms in the presence of Fe atoms. Our result provides a fundamental mechanism that can explain the activated sintering of tungsten by Fe atoms.Comment: 9 pages, 2 figure

High Temperature Partition Function of the Rigid String

We find that the high temperature limit of the free energy per unit length for the rigid string agrees dimensionally with that of the QCD string (unlike the Nambu-Goto string). The sign, and in fact the phase, do not agree. While this may be a clue to a string theory of QCD, we note that the problem of the fourth derivative action makes it impossible for the rigid string to be a correct description.Comment: 7 page

Low-Energy Properties of Antiferromagnetic Spin-1/2 Heisenberg Ladders with an Odd Number of Legs

An effective low-energy description for multi-leg spin-1/2 Heisenberg ladders with an odd number of legs is proposed. Using a newly developed Monte Carlo loop algorithm and exact diagonalization techniques, the uniform and staggered magnetic susceptibility and the entropy are calculated for ladders with 1, 3, and 5 legs. These systems show a low-temperature scaling behavior similar to spin-1/2 chains with longer ranged unfrustrated exchange interactions. The spinon velocity does not change as the number of legs increases, but the energy scale parameter decreases markedly.Comment: 4 pages and 5 figure

Discurso de investidura como Doctor Honoris Causa del Prof. Dr. Randall M. German

Nombrado Doctor Honoris Causa el día 20 de febrero de 200