Electronic structure and phase equilibria in ternary substitutional alloys

A reliable, consistent scheme to study phase equilibria in ternary substitutional alloys based on the tight-binding approximation is presented. With electronic parameters from linear muffin-tin orbital calculations, the computed density of states and band structures compare well with those from more accurate {ital ab}{ital initio} calculations. Disordered alloys are studied within the tight-binding coherent-potential approximation extended to alloys; energetics of ordered systems are obtained through effective pair interactions computed with the general perturbation method; and partially ordered alloys are studied with a novel simplification of the molecular coherent-potential approximation combined with the general perturbation method. The formalism is applied to bcc-based Zr-Ru-Pd alloys which are promising candidates for medical implant devices. Using energetics obtained from the above scheme, we apply the cluster- variation method to study phase equilibria for particular pseudo- binary alloys and show that results are consistent with observed behavior of electronic specific heat coefficient with composition for Zr{sub 0.5}(Ru, Pd){sub 0.5}

The Elliptic Billiard: Subtleties of Separability

Some of the subtleties of the integrability of the elliptic quantum billiard are discussed. A well known classical constant of the motion has in the quantum case an ill-defined commutator with the Hamiltonian. It is shown how this problem can be solved. A geometric picture is given revealing why levels of a separable system cross. It is shown that the repulsions found by Ayant and Arvieu are computational effects and that the method used by Traiber et al. is related to the present picture which explains the crossings they find. An asymptotic formula for the energy-levels is derived and it is found that the statistical quantities of the spectrum P(s) and \Delta(L) have the form expected for an integrable system.Comment: 10 pages, LaTeX, 3 Figures (postscript). Submitted to European Journal of Physic