Issue 35, 2009
From the journal:

Physical Chemistry Chemical Physics

The giant magnetic anisotropy energy of Fe+ ions in SrCl2

Pablo Garcia-Fernandez,*a   Florian Senn,b   Claude A. Daul,b   Jose Antonio Aramburu,a   Maria Teresa Barriusoc  and  Miguel Morenoa  

* Corresponding authors

a Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Avda. de los Castros s/n., Santander, Spain
E-mail: garciapa@unican.es

b Département de Chimie, Université de Fribourg, Perolles, Fribourg, Switzerland

c Departmento de Física Moderna, Universidad de Cantabria, Avda. de los Castros s/n., Santander, Spain

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 (∼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.

Graphical abstract: The giant magnetic anisotropy energy of Fe+ ions in SrCl2

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Article information

DOI
https://doi.org/10.1039/B908110K
Article type
Communication
Submitted
23 Apr 2009
Accepted
03 Jun 2009
First published
17 Jun 2009

Phys. Chem. Chem. Phys., 2009,11, 7545-7548

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The giant magnetic anisotropy energy of Fe+ ions in SrCl2

P. Garcia-Fernandez, F. Senn, C. A. Daul, J. A. Aramburu, M. T. Barriuso and M. Moreno, Phys. Chem. Chem. Phys., 2009, 11, 7545 DOI: 10.1039/B908110K

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