Spin transition in investigated by resonant soft X-ray emission spectroscopyM. 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 is investigated by temperature-dependent resonant soft X-ray emission spectroscopy near the 2p absorption edges. This element-specific technique is more bulk sensitive with respect to the temperature-induced spin state of the ions in 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 as a function of temperature suggest a change in spin state as the temperature is raised from 85 to 300 , while the system remains in the same spin state as the temperature is further increased to 510 .
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