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  The electronic, magnetic and electrical properties of Mn2FeReO6: Ab-initio calculations and Monte-Carlo simulation

Kibbou, M., Benhouria, Y., Boujnah, M., Essaoudi, I., Ainane, A., & Ahuja, R. (2020). The electronic, magnetic and electrical properties of Mn2FeReO6: Ab-initio calculations and Monte-Carlo simulation. Journal of Magnetism and Magnetic Materials, 495: 165833. doi:10.1016/j.jmmm.2019.165833.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0005-82DC-0 Version Permalink: https://hdl.handle.net/21.11116/0000-0009-BCEB-B
Genre: Journal Article

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 Creators:
Kibbou, M.1, Author
Benhouria, Y.1, Author
Boujnah, M.1, Author
Essaoudi, I1, Author
Ainane, Abdelmajid2, Author           
Ahuja, R.1, Author
Affiliations:
1external, ou_persistent22              
2Max Planck Institute for the Physics of Complex Systems, Max Planck Society, ou_2117288              

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 MPIPKS: Superconductivity and magnetism
 Abstract: In this paper, a theoretical study of the electronic, magnetic and electrical properties of double perovskite Mn2FeReO6 with a high Curie temperature so far in magnetic oxides was conducted, using several methods such as Ab-initio and Statistical Physics like Monte-Carlo Simulations (MCS). However, the first principles calculations showed a half-metallic behavior from the density of states and band structures calculation, using PBE + U (apply on the elements Mn, Fe, and Re respectively). The critical temperature obtained by MCS has a great similarity with the experimental results.

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 Dates: 2020-09-112020-02-01
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: 000492698500003
DOI: 10.1016/j.jmmm.2019.165833
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Title: Journal of Magnetism and Magnetic Materials
  Other : Journal of Magnetism and Magnetic Materials: MMM
  Abbreviation : J. Magn. Magn. Mater.
  Abbreviation : JMMM
Source Genre: Journal
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Publ. Info: Amsterdam : NH, Elsevier
Pages: - Volume / Issue: 495 Sequence Number: 165833 Start / End Page: - Identifier: ISSN: 0304-8853
CoNE: https://pure.mpg.de/cone/journals/resource/954925512464