Europhys. Lett.
Volume 68, Number 2, October 2004
Page(s) 289 - 295
Section Condensed matter: electronic structure, electrical, magnetic, and optical properties
Published online 01 October 2004
Europhys. Lett., 68 (2), pp. 289-295 (2004)
DOI: 10.1209/epl/i2004-10183-8

Spin transition in $\chem{LaCoO_3}$ investigated by resonant soft X-ray emission spectroscopy

M. Magnuson1, S. M. Butorin1, C. Såthe1, J. Nordgren1 and P. Ravindran2

1  Department of Physics, Uppsala University - P.O. Box 530, S-751 21 Uppsala, Sweden
2  Department of Chemistry, University of Oslo - P.O. Box 1033 Blindern N-0315 Oslo, Norway

received 10 March 2004; accepted in final form 12 August 2004

The spin transition in $\chem{LaCoO_3}$ is investigated by temperature-dependent resonant soft X-ray emission spectroscopy near the $\chem{Co}$ 2p absorption edges. This element-specific technique is more bulk sensitive with respect to the temperature-induced spin state of the $\chem{Co^{3+}}$ ions in $\chem{LaCoO_3}$ than other high-energy spectroscopic methods. The spin transition is interpreted and discussed with ab initio density-functional theory within the fixed-spin moment method, which is found to yield consistent spectral functions to the experimental data. The spectral changes for $\chem{LaCoO_3}$ as a function of temperature suggest a change in spin state as the temperature is raised from 85 to 300 $\un{K}$, while the system remains in the same spin state as the temperature is further increased to 510 $\un{K}$.

78.70.En - X-ray emission spectra and fluorescence.
71.15.Mb - Density functional theory, local density approximation, gradient and other corrections.
68.35.Rh - Phase transitions and critical phenomena.

© EDP Sciences 2004