Results are presented on the electronic, electric, and magnetic properties of yttrium iron garnet, Y 3 Fe 5 O 12 using first-principles calculations. A cubic centrosymmetric structure and a tetragonally strained structure of Y 3 Fe 5 O 12 are investigated. Frozen-phonon calculations are performed for both phases. We show, using symmetry arguments and by analyzing the crystal structure, that stoichiometric garnets are unlikely multiferroic materials despite their magnetization at room temperature and above.
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Baettig et al. (2008) studied this question.
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