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The European Physical Journal B

, Volume 58, Issue 3, pp 319–322 | Cite as

Ab initio study of structural, electronic and dynamical properties of MgAuSn

  • G. UgurEmail author
  • N. Arıkan
Mathematical Structures in Statistical and Condensed Matter Physics
  • 89 Downloads

Abstract.

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.

PACS.

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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Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Authors and Affiliations

  1. 1.Gazi Üniversitesi, Fen-Edebiyat Fakültesi, Fizik BölümüTeknikokullar, AnkaraTurkey
  2. 2.Ahi Evran Üniversitesi, Egitim Fakültesi, Fizik Egitimi BölümüKırsehirTurkey

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