Electronic structure of the antiferromagnetic phase of Sr2Co2O5

Ab initio calculations analyze the properties of the G-type antiferromagnetic Sr2Co2O5 as a high-spin system. The description of the electronic structure is given; all the Co atoms are in a high-spin state with a small unquenched orbital angular momentum. Thermal analysis on a polycrystalline sample shows a magnetic phase transition at high temperatures. (C) 2007 Elsevier B.V. All rights reserved.