5 7 5 line defects on As Si 100 A general stress relief mechanism for V IV surfaces

An entire family of nano scale trenches, ridges, and steps has been observed experimentally on AsH3 exposed Si 100 . Some of these line structures have been observed previously, but their structures have remained a mystery. Theoretical modeling shows that they are all based upon the same stress relieving 5 7 5 core structure. The strong similarities between line structures on As Si 100 , P Si 100 , As Ge 100 , and other V IV surfaces lead to a much broader conclusion 5 7 5 line structures are a general form of stress relief for group V terminated Si and Ge surface

Roots of Ehrhart Polynomials of Smooth Fano Polytopes

V. Golyshev conjectured that for any smooth polytope P of dimension at most five, the roots z\in\C of the Ehrhart polynomial for P have real part equal to -1/2. An elementary proof is given, and in each dimension the roots are described explicitly. We also present examples which demonstrate that this result cannot be extended to dimension six.Comment: 10 page

First-principles study of the polar O-terminated ZnO surface in thermodynamic equilibrium with oxygen and hydrogen

Using density-functional theory in combination with a thermodynamic formalism we calculate the relative stability of various structural models of the polar O-terminated (000-1)-O surface of ZnO. Model surfaces with different concentrations of oxygen vacancies and hydrogen adatoms are considered. Assuming that the surfaces are in thermodynamic equilibrium with an O2 and H2 gas phase we determine a phase diagram of the lowest-energy surface structures. For a wide range of temperatures and pressures we find that hydrogen will be adsorbed at the surface, preferentially with a coverage of 1/2 monolayer. At high temperatures and low pressures the hydrogen can be removed and a structure with 1/4 of the surface oxygen atoms missing becomes the most stable one. The clean, defect-free surface can only exist in an oxygen-rich environment with a very low hydrogen partial pressure. However, since we find that the dissociative adsorption of molecular hydrogen and water (if also the Zn-terminated surface is present) is energetically very preferable, it is very unlikely that a clean, defect-free (000-1)-O surface can be observed in experiment.Comment: 10 pages, 4 postscript figures. Uses REVTEX and epsf macro