Abstract:Recent theoretical studies have predicted magnetic states for Ru and Os in the body centered tetragonal structure (bct) with c/a < 1. In this study, we present first principles calculations of the phonon dispersion for ferromagnetic Ru-and Os-bct along the epitaxial and uniaxial Bain paths, to evaluate their dynamical stability. The phonon dispersions were computed using the density functional perturbation theory, including the gradient corrections to the exchange-correlation functional within the plane-waves … Show more
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