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White lines and d-band occupancy for the 3d transition-metal oxides and lithium transition-metal oxides

Graetz, Jason and Ahn, Channing C. and Ouyang, Hao and Rez, Peter and Fultz, Brent (2004) White lines and d-band occupancy for the 3d transition-metal oxides and lithium transition-metal oxides. Physical Review B, 69 (23). Art. No. 235103. ISSN 1098-0121. doi:10.1103/PhysRevB.69.235103.

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Electron energy-loss spectrometry was employed to measure the white lines at the L-2,L-3 absorption edges of the 3d transition-metal oxides and lithium transition-metal oxides. The white-line ratio (L-3/L-2) was found to increase between d(0) and d(5), and decrease between d(5) and d(10), consistent with previous results for the transition metals and their oxides. The intensities of the white lines, normalized to the post-edge background, are linear for the 3d transition-metal and lithium transition-metal oxides. An empirical correlation between normalized white-line intensity and 3d occupancy is established. It provides a method for measuring changes in the 3d-state occupancy. As an example, this empirical relationship is used to measure changes in the transition-metal valences of Li1-xNi0.8Co0.2O2 in the range of 0less than or equal toxless than or equal to0.64. In these experiments the 3d occupancy of the nickel ion decreased upon lithium deintercalation, while the cobalt valence remained constant.

Item Type:Article
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Fultz, Brent0000-0002-6364-8782
Additional Information:© 2004 The American Physical Society. Received 19 November 2003; published 8 June 2004. This work was supported by the Department of Energy through Basic Energy Sciences Grant No. DE-FG03-00ER15035.
Funding AgencyGrant Number
Department of Energy (DOE)DE-FG03-00ER15035
Subject Keywords:lithium compounds; transition metal compounds; oxygen compounds; electronic structure; electron energy loss spectra
Issue or Number:23
Record Number:CaltechAUTHORS:GRAprb04
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:2972
Deposited By: Tony Diaz
Deposited On:09 May 2006
Last Modified:08 Nov 2021 19:52

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