First-Principles Calculations of Acoustic and Anharmonic Properties of Ferromagnetic Cu2MnZ (Z = Al and In) Heusler Alloys

  • Yufeng Wen
  • Xianshi Zeng
  • Yuanxiu Ye
  • Liguo Yan
  • Donglan Wu
  • Qingdong Gou
  • Lili Liu
Original Paper


The acoustic and anharmonic properties of ferromagnetic Cu2MnZ (Z = Al and In) Heusler alloys have been investigated by first-principles calculations method. The obtained lattice parameters, magnetic moments, elastic properties are found to be in good agreement with the available experimental values. From the elastic properties, the sound velocities and the related Debye temperatures and minimum thermal conductivities have been obtained for the two alloys. The sound velocities and thermal conductivities of both alloys are found to show significant anisotropy, and the Cu2MnAl with small density and large elastic constants has large sound velocities, high Debye temperature, and large thermal conductivities. Also, the effective second-order elastic constants, generalized Grüneisen constants, and nonlinear ultrasonic parameters to characterize anharmonic properties have been studied for the two alloys. These predictions on the acoustic and anharmonic properties can provide a valuable guidance or reference for further related investigations.


Ferromagnetic Cu2MnZ Heusler alloys Acoustic properties Anharmonic properties First-principles 



The work is supported by the Natural Science Foundation of China (51661013, 11564019, 11464020), the PhD Start-up Fund of Natural Science Foundation of Jinggangshan University(JZB15007), and the Science and Technology Research Program of Chongqing Municipal Education Commission (KJ1710252).


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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2017

Authors and Affiliations

  • Yufeng Wen
    • 1
    • 2
  • Xianshi Zeng
    • 1
    • 3
  • Yuanxiu Ye
    • 1
  • Liguo Yan
    • 1
  • Donglan Wu
    • 1
  • Qingdong Gou
    • 1
  • Lili Liu
    • 4
  1. 1.School of Mathematical Sciences and PhysicsJinggangshan UniversityJi’anPeople’s Republic of China
  2. 2.School of Materials Science and EngineeringShanghai Jiaotong UniversityShanghaiPeople’s Republic of China
  3. 3.Research Center of Laser FusionChina Academy of Engineering PhysicsMianyangPeople’s Republic of China
  4. 4.Department of PhysicsChongqing Three Gorges UniversityWanzhouPeople’s Republic of China

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