Search for dissertations about: "self-consistent lattice dynamical calculation"

Found 1 swedish dissertation containing the words self-consistent lattice dynamical calculation.

  1. 1. Electronic Structure and Lattice Dynamics of Elements and Compounds

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Petros Souvatzis; Uppsala universitet.; [2007]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Atomic and molecular physics; electronic structure; lattice dynamics; first-principles theory; self-consistent lattice dynamical calculation; elasticity; super plasticity; electronic topological transition; equation of state; Atom- och molekylfysik;

    Abstract : The elastic constants of Mg(1-x)AlxB2 have been calculated in the regime 0<x<0.25. The calculations show that the ratio, B/G, between the bulk- and the shear-modulus stays well below the empirical ductility limit, 1. READ MORE