Journal article

The giant magnetic anisotropy energy of Fe⁺ ions in SrCl₂

  • García-Fernández, Pablo Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Santander, Spain
  • Senn, Florian Département de Chimie, Université de Fribourg, Switzerland
  • Daul, Claude Département de Chimie, Université de Fribourg, Switzerland
  • Aramburu, Jose Antonio Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Santander, Spain
  • Barriuso, Maria Teresa Departmento de Física Moderna, Universidad de Cantabria, Santander, Spain
  • Moreno, Miguel Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Santander, Spain
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    17.06.2009
Published in:
  • Physical Chemistry Chemical Physics. - 2009, vol. 11, p. 7545-7548
English 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 (∼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.
Faculty
Faculté des sciences et de médecine
Department
Département de Chimie
Language
  • English
Classification
Chemistry
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/301406
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