Electronic structure of intermetallic compounds in the Cd–Mg system

The electronic structure of isostructural hexagonal crystals of Cd3Mg and Mg3Cd is studied. The detailed structure of the electron density of states and the Fermi surface of these compounds is determined and their electron energy spectra are calculated by the pseudopotential method. It is shown that the one-electron component of the total energy of the crystal dominates in the stabilization of the ordered states at low temperatures. The results of calculations of the Fermi surface characteristics of the ordered compounds Cd3Mg are compared with experimental data on the de Haas–van Alphen effect. An interpretation is proposed for the experimentally observed oscillations.

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