Effect of the Chalcogenide Element Doping on the Electronic Properties of Co2FeAl Heusler Alloys

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• 作者：Ting Huang ; Xiao-min Cheng ; Xia-wei Guan…
• 关键词：Co2FeAl ; chalcogenide element ; half ; metallic
• 刊名：Journal of Electronic Materials
• 出版年：2016
• 出版时间：February 2016
• 年：2016
• 卷：45
• 期：2
• 页码：1028-1034
• 全文大小：2,838 KB
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• 作者单位：Ting Huang (1) (2)
  Xiao-min Cheng (1) (2)
  Xia-wei Guan (1) (2)
  Xiang-shui Miao (1) (2)
  
  1. School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, 430074, China
  2. Wuhan National Laboratory for Optoelectronics, Wuhan, 430074, China
  
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry
  Optical and Electronic Materials
  Characterization and Evaluation Materials
  Electronics, Microelectronics and Instrumentation
  Solid State Physics and Spectroscopy
  
• 出版者：Springer Boston
• ISSN：1543-186X

文摘

The electronic properties of the typical Heusler compound Co₂FeAl with chalcogenide element doping were investigated by means of first principles calculations within the local spin-density approximation (LSDA) + Hubbard U parameter (U). The calculations indicate that, only when 25% of the number of Al atoms is substituted by the chalcogenide element, the chalcogenide element-doped Co₂FeAl shows the half metallic properties. The Fermi energy (E _F) of the 25% chalcogenide element-doped Co₂FeAl is located in the middle of the gap of the minority states instead of around the top of the valence band as in Co₂FeAl. Moreover, the band gap of 25% Te-doped Co₂FeAl (0.80 eV) is wider than that of Co₂FeAl (0.74 eV). These improved electronic structures will make 25% chalcogenide element-doped Co₂FeAl more stable␣against temperature variation. Therefore, the expected excellent stability of the 25% chalcogenide element-doped Co₂FeAl make it more suitable␣for spintronic applications than Co₂FeAl. Keywords Co₂FeAl chalcogenide element half-metallic