Mathematical Structures in Statistical and Condensed Matter Physics
The structural and electronic properties of MgAuSn in the cubic
AlLiSi structure have been studied, using density functional theory
within the local density approximation. The calculated lattice
constant for MgAuSn is found to be in good agreement with its
experimental value. Our calculated electronic structure is also
compared in detail with a recent tight-binding. A
linear-response approach to density-functional theory is used to
calculate the phonon spectrum and density of states for MgAuSn.
63.20.Dj Phonon states and bands, normal modes, and phonon dispersion 71.15.Mb Density functional theory, local density approximation, gradient and other corrections
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