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2014 | 126 | 3 | 795-798
Article title

Electronic and Magnetic Effects on Cu Doping Ti_2NiAl Heusler Alloy: A First-Principles Study

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EN
Abstracts
EN
We investigate the effect of the electronic and magnetic properties on nonmagnetic Cu-3d atoms doping the Heusler alloy Ti_2Ni_{1-x}Cu_xAl (0 ≤ x ≤ 1) using first-principles calculations. The optimized lattice constants are consistent with the Vegard law, and energies of doped systems become more lower as the increase of x concentration. A critical transition diagram from half-metallic to metallic characters is discussed. In addition, the magnetic interactions between p and d states are illustrated. Finally, magnetic moments are given as a function of x value, which implies that the Slater-Pauling rule is obeyed at low Cu content (x ≤ 0.2).
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Contributors
author
  • The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China
author
  • The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China
author
  • The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China
author
  • The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China
author
  • The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China
author
  • The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv126n330kz
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