Possibility of spin-polarized electric current through Mn-, Fe-, Co-, or Ni-doped BaSi2 predicted by their calculated densities of states

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

卷:344

Article

Imai, Yoji¹  Sohma, Mitsugu¹  Suemasu, Takashi² 

[1] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058565, Japan

[2] Univ Tsukuba, Inst Appl Phys, Tsukuba, Ibaraki 3058573, Japan

关键词: BaSi2;    Spintronics;    Half-metal;    Interstitial alloy;   

DOI  :  10.1016/j.jmmm.2013.05.018

来源: Elsevier

【 摘 要 】

Electronic energies and spin-resolved electronic densities-of-states of BaSi2 whose vacant space is occupied by magnetic elements (Mn, Fe, Co and Ni) are calculated using a first-principle pseudopotential method based on the density-functional theory with the generalized gradient approximations. Interstitial compounds of these magnetic elements and BaSi2 will be energetically possible and interstitial occupancy of BaSi2 by Fe and, especially, Co atoms will make the materials half-metallic in case the concentration of doped atoms is well controlled. (C) 2013 Elsevier B.V. All rights reserved.

【 授权许可】

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