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Magnetothermal effect and first-principles calculations of Zn-doped Mn5Ge3-based alloys.

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Title: Magnetothermal effect and first-principles calculations of Zn-doped Mn5Ge3-based alloys.
Authors: Ge, Bingxin1 (AUTHOR), Li, Zhuolin1 (AUTHOR), Liu, Kexin1 (AUTHOR), Tong, Shanlin1 (AUTHOR), Si, Xiaodong2 (AUTHOR) xiaod_si@163.com, Zhu, Yanyan1 (AUTHOR) yyzhu@shiep.edu.cn, Liu, Yongsheng1 (AUTHOR) ysliu@shiep.edu.cn
Source: Journal of Applied Physics. 11/14/2024, Vol. 136 Issue 18, p1-14. 14p.
Subject Terms: *EXCHANGE interactions (Magnetism), *ELECTRONIC density of states, *PHASE transitions, *CURIE temperature, *MAGNETOCALORIC effects, *MAGNETIC entropy
Abstract: This study investigates the compound system Mn5−xZnxGe3 (x = 0.1, 0.2, and 0.3) through experimental investigations and theoretical calculations. Zn doping lowers the Curie temperature and magnetic entropy change of Mn5−xZnxGe3 alloys. Analysis of phenomenological curves, including Landau theories, normalized curves, and Arrott curves during the study of isothermal magnetization curves, reveals a second-order phase transition in this system. Through an extensive investigation of critical behavior using critical isotherm curves and the Kouvel–Fisher (KF) method, the consistency and reliability of these critical indices are validated by the prediction of the scaling theory in the critical region. By scaling the dependence of |ΔSM| on M and applying crucial exponen21t values, an efficient new approach is utilized to calculate the spontaneous magnetization that agrees well with the values deduced from the KF method. Additionally, first-principles calculations reveal that the Mn atoms' 3d orbitals are more significantly close to the Fermi energy level, with Zn doping generally reducing both the electronic density of states and the total magnetic moment of the Mn 3d orbitals. Consequently, the introduction of Zn leads to a decrease in the Mn–Mn atom exchange coupling, resulting in a deterioration of the total exchange interaction. This phenomenon also explains the decrease in the Curie temperature TC due to Zn doping, aligning with experimental observations. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Applied Physics is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Magnetothermal effect and first-principles calculations of Zn-doped Mn<subscript>5</subscript>Ge<subscript>3</subscript>-based alloys.
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  Data: <searchLink fieldCode="AR" term="%22Ge%2C+Bingxin%22">Ge, Bingxin</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Zhuolin%22">Li, Zhuolin</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liu%2C+Kexin%22">Liu, Kexin</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Tong%2C+Shanlin%22">Tong, Shanlin</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Si%2C+Xiaodong%22">Si, Xiaodong</searchLink><relatesTo>2</relatesTo> (AUTHOR)<i> xiaod_si@163.com</i><br /><searchLink fieldCode="AR" term="%22Zhu%2C+Yanyan%22">Zhu, Yanyan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> yyzhu@shiep.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Liu%2C+Yongsheng%22">Liu, Yongsheng</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> ysliu@shiep.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Applied+Physics%22">Journal of Applied Physics</searchLink>. 11/14/2024, Vol. 136 Issue 18, p1-14. 14p.
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  Data: *<searchLink fieldCode="DE" term="%22EXCHANGE+interactions+%28Magnetism%29%22">EXCHANGE interactions (Magnetism)</searchLink><br />*<searchLink fieldCode="DE" term="%22ELECTRONIC+density+of+states%22">ELECTRONIC density of states</searchLink><br />*<searchLink fieldCode="DE" term="%22PHASE+transitions%22">PHASE transitions</searchLink><br />*<searchLink fieldCode="DE" term="%22CURIE+temperature%22">CURIE temperature</searchLink><br />*<searchLink fieldCode="DE" term="%22MAGNETOCALORIC+effects%22">MAGNETOCALORIC effects</searchLink><br />*<searchLink fieldCode="DE" term="%22MAGNETIC+entropy%22">MAGNETIC entropy</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: This study investigates the compound system Mn5−xZnxGe3 (x = 0.1, 0.2, and 0.3) through experimental investigations and theoretical calculations. Zn doping lowers the Curie temperature and magnetic entropy change of Mn5−xZnxGe3 alloys. Analysis of phenomenological curves, including Landau theories, normalized curves, and Arrott curves during the study of isothermal magnetization curves, reveals a second-order phase transition in this system. Through an extensive investigation of critical behavior using critical isotherm curves and the Kouvel–Fisher (KF) method, the consistency and reliability of these critical indices are validated by the prediction of the scaling theory in the critical region. By scaling the dependence of |ΔSM| on M and applying crucial exponen21t values, an efficient new approach is utilized to calculate the spontaneous magnetization that agrees well with the values deduced from the KF method. Additionally, first-principles calculations reveal that the Mn atoms' 3d orbitals are more significantly close to the Fermi energy level, with Zn doping generally reducing both the electronic density of states and the total magnetic moment of the Mn 3d orbitals. Consequently, the introduction of Zn leads to a decrease in the Mn–Mn atom exchange coupling, resulting in a deterioration of the total exchange interaction. This phenomenon also explains the decrease in the Curie temperature TC due to Zn doping, aligning with experimental observations. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Applied Physics is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1063/5.0238197
    Languages:
      – Code: eng
        Text: English
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        PageCount: 14
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      – SubjectFull: EXCHANGE interactions (Magnetism)
        Type: general
      – SubjectFull: ELECTRONIC density of states
        Type: general
      – SubjectFull: PHASE transitions
        Type: general
      – SubjectFull: CURIE temperature
        Type: general
      – SubjectFull: MAGNETOCALORIC effects
        Type: general
      – SubjectFull: MAGNETIC entropy
        Type: general
    Titles:
      – TitleFull: Magnetothermal effect and first-principles calculations of Zn-doped Mn5Ge3-based alloys.
        Type: main
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          Name:
            NameFull: Ge, Bingxin
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            NameFull: Li, Zhuolin
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            NameFull: Liu, Kexin
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            NameFull: Si, Xiaodong
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            NameFull: Zhu, Yanyan
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            NameFull: Liu, Yongsheng
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            – D: 14
              M: 11
              Text: 11/14/2024
              Type: published
              Y: 2024
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              Value: 136
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            – TitleFull: Journal of Applied Physics
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