The paper presents the results of ab initio calculations of formation energies of vacancy and small vacancy complexes in beryllium. Particular attention is paid to the justification of the relevant computation parameters and the evaluation of the total and vacancy formation energy convergence. The vacancy formation energy of ~0.80.3em0exeV is predicted. The formation of divacancies from individual vacancies is found to be energetically unfavorable irrespective of the divacancy orientation in the lattice.
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Ganchenkova et al. (2007) studied this question.
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