Electronic Structures of Mixed Ionic-Electronic Conductors SrCoOx Full article
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Journal of Physics and Chemistry of Solids
ISSN: 0022-3697 |
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| Output data | Year: 2010, Volume: 71, Number: 11, Pages: 1581-1586 Pages count : 6 DOI: 10.1016/j.jpcs.2010.08.008 | ||
| Tags | Activation energy; Defects; Electronic properties; Magnetic moments; Oxygen; Oxygen vacancies | ||
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Abstract:
Electronic structures of SrCoOx with x=3, 2.875 and 2.75 were calculated by DFT technique in SLDA approximation. Two kinds of oxygen vacancy ordering with energies of 0.22 and 0.01 eV lower in comparison with random vacancy distribution were revealed. The transition between these ordered vacancy systems with the activation energy 0.34 eV can be a step in the ionic conductivity mechanism. The calculated ion charges, magnetic moments and electron density of states were used to analyze chemical bonding in the crystals. All calculated compounds have metal electronic conductivity.
Cite:
Tapilin V.M.
, Cholach A.R.
, Bulgakov N.N.
Electronic Structures of Mixed Ionic-Electronic Conductors SrCoOx
Journal of Physics and Chemistry of Solids. 2010. V.71. N11. P.1581-1586. DOI: 10.1016/j.jpcs.2010.08.008 WOS Scopus РИНЦ ANCAN OpenAlex
Electronic Structures of Mixed Ionic-Electronic Conductors SrCoOx
Journal of Physics and Chemistry of Solids. 2010. V.71. N11. P.1581-1586. DOI: 10.1016/j.jpcs.2010.08.008 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
| Submitted: | Sep 17, 2009 |
| Accepted: | Aug 11, 2010 |
| Published online: | Aug 14, 2010 |
| Published print: | Nov 1, 2010 |
Identifiers:
| Web of science: | WOS:000283204700013 |
| Scopus: | 2-s2.0-77957310877 |
| Elibrary: | 15331516 |
| Chemical Abstracts: | 2010:1206708 |
| Chemical Abstracts (print): | 155:257411 |
| OpenAlex: | W2019524008 |