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
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- English
- Classification
- Chemistry
- License
- License undefined
- Identifiers
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- RERO DOC 12963
- DOI 10.1039/b908110k
- Persistent URL
- https://folia.unifr.ch/unifr/documents/301406
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