STRUCTURE AND EXCITATIONS OF ORTHORHOMBIC Al3Co
نویسنده
چکیده
We study the energetics of quasicrystals using a lattice gas simulation to sample atomic conngurations close to the quasicrystal and its approximants. The total potential energy for each connguration is calculated by summing electronic structure based pair potentials. We apply this method to study Al 73 Co 24 in a 14.4 A by 12.3 A by 8.1 A orthorhombic cell. The structures obtained are compared with experiment. We also determine characteristic excitation energies and the associated atomic motions.
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