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  The Electronic Structure of Hexagonal BaCoO3

Felser, C., Yamaura, K., & Cava, R. (1999). The Electronic Structure of Hexagonal BaCoO3. Journal of Solid State Chemistry, 146(2), 411-417. doi:10.1006/jssc.1999.8382.

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Felser, C.1, Author              
Yamaura, K.2, Author
Cava, R.J.2, Author
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1External Organizations, ou_persistent22              
2external, ou_persistent22              

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 Abstract: TB-LMTO-ASA band structure calculations Within the local spin density approximation have been performed to explain the magnetic and transport properties of BaCoO3. The calculations predict a magnetic and metallic ground state as energetically favored. BaCoO3 shows no long-range magnetic ordering, however, and only poor conductivity. The magnetic energy is low and the compound shows glassy susceptibility behavior at lom temperatures, From the band structure we find Mott-Hubbard localization to be unlikely, and instead propose Anderson localization as a possible origin of the observed behavior, Calculations on slightly distorted structures exclude the possibility of a Peierls distortion.(C) 1999 Academic Press.

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 Dates: 1999-09-01
 Publication Status: Published in print
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 Rev. Type: -
 Identifiers: ISI: 000082349800019
DOI: 10.1006/jssc.1999.8382
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Title: Journal of Solid State Chemistry
Source Genre: Journal
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Publ. Info: Orlando, Fla. : Academic Press
Pages: - Volume / Issue: 146 (2) Sequence Number: - Start / End Page: 411 - 417 Identifier: ISSN: 0022-4596
CoNE: https://pure.mpg.de/cone/journals/resource/954922646045