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Title: New Quaternary Half-Metallic Materials of the Z{sub t} − 28 Rule in LiMgPdSn-Type Heusler Alloys

Abstract

This paper presents first-principles calculations with the full-potential linearized augmented plane-wave method to study a series of LiMgPdSn-type Heusler alloys. The chemical formula is XX{sup ′}YZ, where X = Fe, Co, or Ni; X{sup ′} = Mn; Y = Cu or Zn; and Z = Si, Al, Ga, or Ge. Eight compounds are found to be half-metallic magnets and obey the Slater–Pauling rule with the total number of valence electrons (Z{sub t}) of 28. The half-metallic band gap in CoMnZnSi compounds reaches its maximum of 0.66 eV. CoMnCuGe and CoMnZnGa can be transformed from a quasi-half-metallic alloy to a half-metallic alloy by employing sufficient compression stress.

Authors:
 [1];  [2]; ; ; ; ; ; ; ;  [1]
  1. Hebei Normal University, Department of Physics, Hebei Advanced Thin Films Laboratory (China)
  2. Hebei Institute of Architecture Civil Engineering, Department of Mathematics and Physics (China)
Publication Date:
OSTI Identifier:
22776972
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 4; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; Article Copyright (c) 2017 Springer Science+Business Media, LLC; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COBALT; COMPRESSION; COPPER; ELECTRONS; HEUSLER ALLOYS; IRON; MAGNETS; MANGANESE; NICKEL; QUATERNARY ALLOY SYSTEMS; SEMIMETALS; VALENCE; ZINC

Citation Formats

Jia, L. Y., Xu, J. L., Zhao, R. B., Pan, H., Shen, J. L., Yuan, L. Y., Li, G. K., Ma, L., Zhen, C. M., and Hou, D. L., E-mail: houdenglu@mail.hebtu.edu.cn. New Quaternary Half-Metallic Materials of the Z{sub t} − 28 Rule in LiMgPdSn-Type Heusler Alloys. United States: N. p., 2018. Web. doi:10.1007/S10948-017-4280-5.
Jia, L. Y., Xu, J. L., Zhao, R. B., Pan, H., Shen, J. L., Yuan, L. Y., Li, G. K., Ma, L., Zhen, C. M., & Hou, D. L., E-mail: houdenglu@mail.hebtu.edu.cn. New Quaternary Half-Metallic Materials of the Z{sub t} − 28 Rule in LiMgPdSn-Type Heusler Alloys. United States. doi:10.1007/S10948-017-4280-5.
Jia, L. Y., Xu, J. L., Zhao, R. B., Pan, H., Shen, J. L., Yuan, L. Y., Li, G. K., Ma, L., Zhen, C. M., and Hou, D. L., E-mail: houdenglu@mail.hebtu.edu.cn. Sun . "New Quaternary Half-Metallic Materials of the Z{sub t} − 28 Rule in LiMgPdSn-Type Heusler Alloys". United States. doi:10.1007/S10948-017-4280-5.
@article{osti_22776972,
title = {New Quaternary Half-Metallic Materials of the Z{sub t} − 28 Rule in LiMgPdSn-Type Heusler Alloys},
author = {Jia, L. Y. and Xu, J. L. and Zhao, R. B. and Pan, H. and Shen, J. L. and Yuan, L. Y. and Li, G. K. and Ma, L. and Zhen, C. M. and Hou, D. L., E-mail: houdenglu@mail.hebtu.edu.cn},
abstractNote = {This paper presents first-principles calculations with the full-potential linearized augmented plane-wave method to study a series of LiMgPdSn-type Heusler alloys. The chemical formula is XX{sup ′}YZ, where X = Fe, Co, or Ni; X{sup ′} = Mn; Y = Cu or Zn; and Z = Si, Al, Ga, or Ge. Eight compounds are found to be half-metallic magnets and obey the Slater–Pauling rule with the total number of valence electrons (Z{sub t}) of 28. The half-metallic band gap in CoMnZnSi compounds reaches its maximum of 0.66 eV. CoMnCuGe and CoMnZnGa can be transformed from a quasi-half-metallic alloy to a half-metallic alloy by employing sufficient compression stress.},
doi = {10.1007/S10948-017-4280-5},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 4,
volume = 31,
place = {United States},
year = {2018},
month = {4}
}