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  Stability and charge transfer in the misfit compound (LaS)(SrS)0.2CrS2: Ab initio band-structure calculations

Cario, L., Johrendt, D., Lafond, A., Felser, C., Meerschaut, A., & Rouxel, J. (1997). Stability and charge transfer in the misfit compound (LaS)(SrS)0.2CrS2: Ab initio band-structure calculations. Physical Review B, 55(15), 9409-9414. doi:10.1103/PhysRevB.55.9409.

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Cario, Laurent1, Author
Johrendt, Dirk1, Author
Lafond, Alain1, Author
Felser, Claudia2, Author              
Meerschaut, Alain1, Author
Rouxel, Jean1, Author
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1external, ou_persistent22              
2External Organizations, ou_persistent22              

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 Abstract: Local-density approximation ab initio band-structure calculations have been carried out on the misfit compound (LaS)(SrS)(0.2)CrS2. It appears that this phase can be regarded as an infinite two-dimensional intercalation compound. One electron is transferred from the LaS slab to the CrS2 slab. For the (LaS) (La2/3(1-y)SryS)(0.2)CrS2 derivatives Sr atoms can substitute La atoms up to y=1. This study confirms the existence of La vacancies in the nondoped compound and is consistent with the observed nonmetallic character of this phase.

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 Dates: 1997-04-15
 Publication Status: Published in print
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 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: A1997WV25100053
DOI: 10.1103/PhysRevB.55.9409
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Title: Physical Review B
  Other : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 55 (15) Sequence Number: - Start / End Page: 9409 - 9414 Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008