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  Collapsed tetragonal phase as a strongly covalent and fully nonmagnetic state: Persistent magnetism with interlayer As-As bond formation in Rh-doped Ca0.8Sr0.2Fe2As2

Zhao, K., Glasbrenner, J., Gretarsson, H., Schmitz, D., Bednarcik, J., Etter, M., et al. (2018). Collapsed tetragonal phase as a strongly covalent and fully nonmagnetic state: Persistent magnetism with interlayer As-As bond formation in Rh-doped Ca0.8Sr0.2Fe2As2. Physical Review B, 97(2): 020510.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000E-E0AF-0 Version Permalink: https://hdl.handle.net/21.11116/0000-000E-E0B0-D
Genre: Journal Article

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 Creators:
Zhao, K., Author
Glasbrenner, J., Author
Gretarsson, H.1, Author
Schmitz, D., Author
Bednarcik, J., Author
Etter, M., Author
Sun, J., Author
Manna, R., Author
Al-Zein, A., Author
Lafuerza, S., Author
Scherer, W., Author
Cheng, J., Author
Gegenwart, P., Author
Affiliations:
1Max Planck Society, ou_persistent13              

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 Abstract: A well-known feature of the CaFe2As2-based superconductors is the pressure-induced collapsed tetragonal phase that is commonly ascribed to the formation of an interlayer As-As bond. Using detailed x-ray scattering and spectroscopy, we find that Rh-doped Ca0.8Sr0.2Fe2As2 does not undergo a first-order phase transition and that local Fe moments persist despite the formation of interlayer As-As bonds. Our density functional theory calculations reveal that the Fe-As bond geometry is critical for stabilizing magnetism and the pressure-induced drop in the c lattice parameter observed in pure CaFe2As2 is mostly due to a constriction within the FeAs planes. The collapsed tetragonal phase emerges when covalent bonding of strongly hybridized Fe 3d and As 4p states completely wins out over their exchange splitting. Thus the collapsed tetragonal phase is properly understood as a strong covalent phase that is fully nonmagnetic with the As-As bond forming as a by-product.

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Language(s): eng - English
 Dates: 2018
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Internal
 Identifiers: eDoc: 736051
ISI: 000423656400002
 Degree: -

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Title: Physical Review B
Source Genre: Journal
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Pages: - Volume / Issue: 97 (2) Sequence Number: 020510 Start / End Page: - Identifier: ISSN: 2469-9950