Dissolution of impurities in sodium gadolinium molybdate NaGd(MoO<sub>4</sub>)<sub>2</sub>
V. В. Dudnikova,
N. N. Eremin
Abstract:Impurity defects simulation in sodium-gadolinium molybdate NaGd(MoO4)2 was carried out using a method of interatomic potentials. The dissolution energies of tri-, di- and monovalent impurities were estimated. The dependences of the dissolution energy on the ionic radius of the impurity were plotted. For heterovalent substitutions, the most energetically favorable mechanism for charge compensation has been found, both due to intrinsic crystal defects and according to the conjugate isomorphism scheme. The positi… Show more
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