title: The giant magnetic anisotropy energy of Fe+ ions in SrCl2.
abstract: We show that values of the magnetic anisotropy energy (MAE), which are about two orders of magnitude larger than the usual ones for transition metal cations in insulators (approximately 0.01-1 cm(-1)), can be found for the less common ion Fe+. In SrCl2:Fe+, the MAE is 93 cm(-1) when calculated using second-order perturbation multi-configurational calculations (CASPT2) while a similar value is found using multi-reference density functional theory (MR-DFT). This result is even larger than other recently reported giant MAEs for atoms on surfaces or magnetic clusters. The microscopic origin of this giant MAE is discussed in detail.
authors: Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Santander, Spain. garciapa@unican.es
authors: Pablo
authors: P
authors: Garcia-Fernandez
authors: Florian
authors: F
authors: Senn
authors: Claude A
authors: CA
authors: Daul
authors: Jose Antonio
authors: JA
authors: Aramburu
authors: Maria Teresa
authors: MT
authors: Barriuso
authors: Miguel
authors: M
authors: Moreno