Loading [MathJax]/jax/output/SVG/config.js
Fizika Tverdogo Tela
RUS  ENG    JOURNALS   PEOPLE   ORGANISATIONS   CONFERENCES   SEMINARS   VIDEO LIBRARY   PACKAGE AMSBIB  
General information
Latest issue
Archive

Search papers
Search references

RSS
Latest issue
Current issues
Archive issues
What is RSS


Fizika Tverdogo Tela:
Year:
Volume:
Issue:
Page:
Find




Personal entry:
Login:
Password:
Save password
Enter
Forgotten password?
Register

Fizika Tverdogo Tela, 2020, Volume 62, Issue 3, Page 421 (Mi ftt10196)  
This article is cited in 4 scientific papers (total in 4 papers)

Magnetism

Antiferromagnetic structure and magnetic properties of FeO with GGA + U + SOC study

N. Yahi, Y. Azzaz, M. Ameri, M. Benouis, D. Bensaid, O. Arbouche, M. Yamani, N. Moulay

Laboratory of Physico-Chemistry of Advanced Materials, University of Sidi Bel Abbes, Sidi Bel Abbes, 22000, Algeria
Full-text PDF (27 kB) Citations (4)
Abstract: The magnetic stability and electronic properties of the FeO compound are investigated using the framework of an all-electron full-potential linearized augmented-plane wave (FP-LAPW) method within the generalized gradient (GGA) and GGA + U approximations. We locate the ground state to be of rhombohedrally distorted B1 structure with compression along [111] direction. The values for the band gap and magnetic moments obtained with this parameter-free first principles method are in good agreement with experimental data. Finally, we conclude that the treatment of the correlated electrons (GGA + U) approach with the inclusion of spin-orbit-coupling (SOC) is important for the correct description of this compound.
Keywords: TMMs (Transition Metals Monoxides), FeO, high pressure, DFT.
Received: 04.09.2019
Revised: 04.09.2019
Accepted: 15.10.2019
English version:
Physics of the Solid State, 2020, Volume 62, Issue 3, Pages 472–479
DOI: https://doi.org/10.1134/S106378342003004X
Document Type: Article
Language: English
Citation: N. Yahi, Y. Azzaz, M. Ameri, M. Benouis, D. Bensaid, O. Arbouche, M. Yamani, N. Moulay, “Antiferromagnetic structure and magnetic properties of FeO with GGA + U + SOC study”, Fizika Tverdogo Tela, 62:3 (2020), 421; Phys. Solid State, 62:3 (2020), 472–479
Citation in format AMSBIB
\Bibitem{YahAzzAme20}
\by N.~Yahi, Y.~Azzaz, M.~Ameri, M.~Benouis, D.~Bensaid, O.~Arbouche, M.~Yamani, N.~Moulay
\paper Antiferromagnetic structure and magnetic properties of FeO with GGA + U + SOC study
\jour Fizika Tverdogo Tela
\yr 2020
\vol 62
\issue 3
\pages 421
\mathnet{http://mi.mathnet.ru/ftt10196}
\transl
\jour Phys. Solid State
\yr 2020
\vol 62
\issue 3
\pages 472--479
\crossref{https://doi.org/10.1134/S106378342003004X}
Linking options:
  • https://www.mathnet.ru/eng/ftt10196
  • https://www.mathnet.ru/eng/ftt/v62/i3/p421
    • This publication is cited in the following 4 articles:
    1. Juliusz Chojenka, Arkadiusz Zarzycki, Marcin Perzanowski, Tamás Fodor, Krystian Mróz, Viktor Takáts, Kálmán Vad, Michał Krupiński, Marta Marszałek, “Manipulating Electrical Properties of Nanopatterned Double-Barrier Schottky Junctions in Ti/TiOx/Fe Systems”, J. Phys. Chem. C, 128:1 (2024), 364  crossref
    2. Wenming Xia, Guo Chen, Yuanqin Zhu, Zhufeng Hou, Taku Tsuchiya, Xianlong Wang, “Machine Learning Model for the Prediction of Hubbard U Parameters and Its Application to Fe–O Systems”, J. Chem. Theory Comput., 2024  crossref
    3. Shujie Zhang, Kejiang Li, Yan Ma, Feng Guo, Chunhe Jiang, Zeng Liang, Yushan Bu, Jianliang Zhang, “Density Functional Studies on the Atomistic Structure and Properties of Iron Oxides: A Parametric Study”, Materials, 15:23 (2022), 8316  crossref
    4. Jixing Liu, Huifang Cheng, Huiling Zheng, Lu Zhang, Bing Liu, Weiyu Song, Jian Liu, Wenshuai Zhu, Huaming Li, Zhen Zhao, “Insight into the Potassium Poisoning Effect for Selective Catalytic Reduction of NOx with NH3 over Fe/Beta”, ACS Catal., 11:24 (2021), 14727  crossref
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    		Fizika Tverdogo Tela Fizika Tverdogo Tela
    Statistics & downloads:
    Abstract page:61
    Full-text PDF :23
     
      Contact us:
    math-net2025_05@mi-ras.ru     		 Terms of Use  Registration to the website  Logotypes © Steklov Mathematical Institute RAS, 2025