First-Principles Calculations of Electronic and Magnetic Properties in Ferromagnetic MnSeS, MnSeTe, and MnSePo Ternary Systems

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• 作者：W. Adli ; A. Zaoui ; M. Ferhat
• 关键词：MnSeS ; MnSeTe ; MnSePo ; First ; principles ; Magnetic properties ; Electronic properties
• 刊名：Journal of Superconductivity Incorporating Novel Magnetism
• 出版年：2016
• 出版时间：March 2016
• 年：2016
• 卷：29
• 期：3
• 页码：839-845
• 全文大小：1,908 KB
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• 作者单位：W. Adli (1) (2)
  A. Zaoui (3) (4)
  M. Ferhat (2)
  
  1. Département de Physique-Chimie, Ecole Nationale Polytechnique d’Oran (ENPO), BP, El M’Naouer, 31000, Oran, Algeria
  2. Département de Physique, Université des Sciences et de la Technologie d’Oran, 31000, Oran, Algeria
  3. Laboratoire de Génie Civil et Géo-Environnement - (LGCgE-4515), Lille Nord de, France
  4. Polytech’Lille, Université de Lille 1, F-59655, Villeneuve d’Ascq, France
  
• 刊物类别：Physics and Astronomy
• 刊物主题：Physics
  Superconductivity, Superfluidity and Quantum Fluids
  Magnetism and Magnetic Materials
  Condensed Matter
  Characterization and Evaluation Materials
  
• 出版者：Springer New York
• ISSN：1557-1947

文摘

In this paper, we present theoretical investigations of electronic and magnetic properties of the ordered cubic ferromagnetic MnSe<sub> x sub> S <sub>1 −ss="EmphasisTypeItalic ">x sub>, MnSe<sub> x sub>Te<sub>1 −ss="EmphasisTypeItalic ">x sub>, and MnSe<sub> x sub>Po<sub>1 −ss="EmphasisTypeItalic ">x sub> for x = 0.25, 0.50, and 0.75 using the full-potential linearized augmented plane wave method. Regarding structural properties, we found that the lattice parameters of MnSeS, MnSeTe, and MnSePo alloys follow Vegard’s law. Results show that MnSe<sub> x sub>Te<sub>1 −ss="EmphasisTypeItalic ">x sub> exhibits a half-metallic behaviour for all Mn concentrations, while MnSeS is half-metallic only for x = 0.5 and 0.75, and MnSePo is half-metallic only for x = 0.25. Moreover, a total magnetic moment of 5 µ<sub>Bsub> is found for all alloys where the half-metallic phase is present. The total magnetic moment is found to be independent of composition and it is mainly due to the Mn atom.