Vibrational properties of MgZn2

  title={Vibrational properties of MgZn2},
  author={Peter Brommer and Marc de Boissieu and Holger Euchner and Sonia Francoual and Franz G{\"a}hler and Mark Johnson and Krzysztof Parlinski and Karin Schmalzl},
  journal={Zeitschrift f{\"u}r Kristallographie - Crystalline Materials},
  pages={100 - 97}
We present here simulation results on the dynamical structure factor of the C14 Laves Phase of MgZn 2 , the simplest of the Mg-(Al,Zn) Frank-Kasper alloy phases. The dynamical structure factor was determined in two ways. Firstly, the dynamical matrix was obtained in harmonic approximation from ab-initio forces. The dynamical structure factor can then be computed from the eigenvalues of the dynamical matrix. Alternatively, Molecular Dynamics simulations of a larger sample were used to measure… CONTINUE READING

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