Jutong Nuttachai, Eckern Ulrich, Mairoser Thomas, Schwingenschlögl Udo
Institut für Physik, Universität Augsburg, 86135 Augsburg, Germany.
Zentrum für elektronische Korrelationen und Magnetismus, Universität Augsburg, 86159 Augsburg, Germany.
Sci Rep. 2015 Jan 27;5:8038. doi: 10.1038/srep08038.
The effect of Gd doping and O deficiency on the electronic structure, exchange interaction, and Curie temperature of EuO in the cubic and tetragonal phases is studied by means of density functional theory. For both defects, the Curie temperature is found to exhibit a distinct maximum as a function of the defect concentration. The existence of optimal defect concentrations is explained by the interplay of the on-site, RKKY, and superexchange contributions to the magnetism.
采用密度泛函理论研究了Gd掺杂和O缺陷对立方相和四方相EuO的电子结构、交换相互作用和居里温度的影响。对于这两种缺陷,发现居里温度随缺陷浓度呈现出明显的最大值。最佳缺陷浓度的存在是由对磁性的在位、RKKY和超交换贡献之间的相互作用来解释的。