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|Title:||Electronic Structure of the Americium Monopnictides: Ab Initio Calculations and Photoemission Experiments|
|Authors:||GOSH D.b.; DE S.k.; OPPENEER P.m.; GOUDER THOMAS; BROOKS Michael; WASTIN FRANCK; HUBER FRANK; REBIZANT JEAN|
|Citation:||Proceedings of the Conference 35èmes Journées des Actinides p. P-21|
|Publisher:||University of Vienna|
|Type:||Articles in periodicals and books|
|Abstract:||The americium monopnictides are interesting materials. One of the reasons is that americium is the first actinide element located on the right-hand side of the 5f delocalization-localization transition, i.e., the intriguing retraction of the 5f states from bonding which occurs between plutonium and americium. The americium side of the story has recently begun to be explored: Pressure experiments were applied to investigate the possibility of driving the Am 5f electrons towards delocalization . Another route towards delocalization could in principle be through hybridization of the 5f¿s with ligand orbitals. This line of research has not yet been pursued, mainly because so far only a few Am compounds have been synthesized. Among these are the Am monopnictides, which crystallize in the cubic rocksalt structure and were found to be temperature independent paramagnets . A theoretical study was recently devoted to the electronic structure of the Am monopnictides. Employing the self-interaction corrected, local spin-density approximation (SIC-LSDA) approach, Petit et al.  predicted the Am monopnictides to be metallic compounds, having a huge 5f partial density of states (DOS) in the immediate vicinity of the Fermi level.|
|JRC Directorate:||Nuclear Safety and Security|
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