Compton scattering study of the electronic structure of CuO

Sekar, K. ; Panda, B. K. ; Mahapatra, D. P. ; Dev, B. N. (1991) Compton scattering study of the electronic structure of CuO Journal of Physics: Condensed Matter, 3 (32). pp. 6033-6039. ISSN 0953-8984

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Official URL: http://iopscience.iop.org/0953-8984/3/32/010

Related URL: http://dx.doi.org/10.1088/0953-8984/3/32/010

Abstract

The Compton profile (CP) of polycrystalline CuO has been measured using 60 keV gamma -rays. In the absence of rigorous theoretical results the obtained data have been analysed in terms of CPS calculated within the framework of the renormalized-free-atom model, employing several wavefunctions for the 0 2p state. Compared with 3d102p5, the CP for the 3d92p6 configuration was found to be in better agreement with the experimental data. As in MgO, here also Watson's+1 well solution of the 0 2p state was found to provide better results than the rest. However, the best results were obtained with a configuration given by 3d9.42p5.6. The implications of this are discussed.

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