Charge Ordering in the Anti‐Th3P4 Structure

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Abstract
The existence of charge ordering in rare‐earth compounds crystallizing in the anti‐Th3P4 structure is investigated. On the basis of Madelung energy calculations it is shown that for instance in Eu4As3 the electrostatic interactions stabilize a charge ordered low temperature phase. The thermodynamics and the transition to the disordered phase are described by a lattice gas model. The transition is found to be of first order. The transition temperature estimated for Eu4As3 lies well above room temperature. The theoretical results are compatible with recent experiments, although the transition itself has to be confirmed by high temperature measurements.