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|Title:||Optical Evidence of 4f-Band Formation in CeN.|
|Authors:||DELIN A.; OPPENEER P.m.; KRAFT T.; WILLS J.m.; JOHANSSON B.; ERIKSSON O.|
|Citation:||Physical Review B (Rapid Communications) vol. 55 no. 16 p. R10173-R10176|
|Type:||Articles in periodicals and books|
|Abstract:||CeN has long been thought to be an archetypical mixed valent compound. We report ab initio calculations of its ground state and optical properties, which demonstrate that the mixed valence picture of CeN must be revised. Our calculations show that the appropriate picture is that of a narrow, coherent 4f-band formed just above the Fermi energy. This picture provides an accurate description of the measured optical spectrum. It reproduces the lattice parameter with an error of less than 1% and the linear specific heat coefficient and magnetic susceptibility are also well described.|
|JRC Institute:||Nuclear Safety and Security|
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