Abstract
We study in detail one of the models for decagonal AlCuCo proposed by S. E. Burkov [Phys. Rev. B 47, 12 325 (1993)]. All atomic neighborhoods up to a radius of 2.9 \AA{} together with their frequencies are determined. We apply Hartree-Fock many-electron theory to these clusters and explore their chemical plausibility and type of binding. The Mulliken analysis shows positively charged Al and negatively charged Cu and Co, in agreement with Sanderson's principle. A theoretical M\"ossbauer adsorption spectrum is calculated from the electric-field gradient and the charge density at substituted iron sites.
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