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Journal of Superconductivity and Novel Magnetism

, Volume 28, Issue 12, pp 3701–3705 | Cite as

Prediction of d 0 Half-Metallic Properties in CsMgS2 Full-Heusler Compound from First-Principle Calculations

  • Li Zhang
  • X.T. Wang
  • H. Rozale
  • Jian-wei Lu
  • Li-ying Wang
Original Paper

Abstract

The d 0 half-metallic properties of a new and promising compound, CsMgS 2, are investigated by means of first-principle calculations within the framework of density functional theory. We find that CsMgS 2 is a d 0 half metal with a Cu 2MnAl-type Heusler structure in the ferromagnetic ground state. The half-metallicity is robust against isotropic stress and is suitable to be fabricated in the form of thin films.

Keywords

d0 half metallicity Electronic structure Full-Heusler compound Bulk magnetic properties 

Notes

Acknowledgments

This work was supported by the Project of Education Department of Jilin Province (Grant No. 2014388) and by the Doctor Support Project of Tonghua Normal University under Grant No 201412.

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Copyright information

© Springer Science+Business Media New York 2015

Authors and Affiliations

  • Li Zhang
    • 1
  • X.T. Wang
    • 2
  • H. Rozale
    • 3
  • Jian-wei Lu
    • 4
  • Li-ying Wang
    • 5
  1. 1.School of PhysicsTonghua Normal UniversityTonghuaPeople’s Republic of China
  2. 2.School of Materials Science and EngineeringHebei University of TechnologyTianjinPeople’s Republic of China
  3. 3.Condensed Matter and Sustainable Development Laboratory, Physics DepartmentUniversity of Sidi-Bel-AbbèsSidi-Bel-AbbèsAlgeria
  4. 4.Qinggong CollegeNorth China University of Science and TechnologyTangshanPeople’s Republic of China
  5. 5.School of PhysicsTianjin UniversityTianjinPeople’s Republic of China

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