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  Microscopic investigation of low dimensional magnet Sc2Cu2O5: combined experimental and ab initio approach

Sannigrahi, J., Sichelschmidt, J., Koo, B., Banerjee, A., Majumdar, S., & Kanungo, S. (2019). Microscopic investigation of low dimensional magnet Sc2Cu2O5: combined experimental and ab initio approach. Journal of Physics: Condensed Matter, 31(24): 245802, pp. 1-8. doi:10.1088/1361-648x/ab0fb0.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0003-55A2-6 Version Permalink: http://hdl.handle.net/21.11116/0000-0003-55B5-1
Genre: Journal Article

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 Creators:
Sannigrahi, Jhuma1, Author              
Sichelschmidt, Jörg2, Author              
Koo, Bonho1, Author              
Banerjee, Anupam3, Author
Majumdar, Subham3, Author
Kanungo, Sudipta3, Author
Affiliations:
1Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863462              
2Jörg Sichelschmidt, Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863468              
3External Organizations, ou_persistent22              

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 Abstract: Sc2Cu2O5 is a non centro-symmetric oxide comprising of zig-zag chains made up of Cu2+ ions in a distorted square planer coordination. We present here a combined experimental and theoretical investigation on this compound, which is based on magnetization, electron spin resonance (ESR), heat capacity as well as density functional theory (DFT) based calculations. Short range magnetic correlation prior to the long range order at K is evidenced by a broad hump like feature (43 K) found in the magnetic contribution of the heat capacity as well as by deviations from a regular Curie–Weiss behavior observed in the bulk magnetization and the Cu2+ ESR intensity. The DFT results indicate the existence of ferro-orbital ordering at the Cu-sites, which gives rise to chain like arrangements of Cu ions along the crystallographic b axis. It also signifies complex nature of the spin structure with nonuniform magnetic interactions along the zig-zag chains. The ground state energy is found to be minimum for ferromagnetically coupled spin-dimers along the chains, whereas the adjacent chains are themselves antiferromagnetically coupled. The experimentally observed short range magnetic correlations possibly arise due to this chain like structure.

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Language(s): eng - English
 Dates: 2019-04-052019-04-05
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1088/1361-648x/ab0fb0
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Title: Journal of Physics: Condensed Matter
  Abbreviation : J. Phys. Condens. Matter.
Source Genre: Journal
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Publ. Info: Bristol : IOP Publishing
Pages: - Volume / Issue: 31 (24) Sequence Number: 245802 Start / End Page: 1 - 8 Identifier: ISSN: 0953-8984
CoNE: https://pure.mpg.de/cone/journals/resource/954928562478