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|
Spin transition in investigated by resonant soft X-ray emission spectroscopy
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
Accepted: 12 August 2004
The spin transition in is investigated by temperature-dependent resonant soft X-ray emission spectroscopy near the 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.
PACS: 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
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