Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides

Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides

Cation disorder is an important design criterion for technologically relevant transition-metal (TM) oxides, such as radiation-tolerant ceramics and Li-ion battery electrodes. In this Letter, we use a combination of first-principles calculations, normal mode analysis, and band-structure arguments to...

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Bibliographic Details
Main Authors: Urban, Alexander, Artrith, Nongnuch, Ceder, Gerbrand, Abdellahi, Aziz, Dacek, Stephen Thomas
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:English
Published: American Physical Society 2017
Online Access:http://hdl.handle.net/1721.1/112969
https://orcid.org/0000-0002-0622-991X
https://orcid.org/0000-0002-7737-1278

Internet

http://hdl.handle.net/1721.1/112969
https://orcid.org/0000-0002-0622-991X
https://orcid.org/0000-0002-7737-1278

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