• Corpus ID: 118538273

In-plane antiferromagnetism in NaxCoO2 induced by SbCo dopants

  title={In-plane antiferromagnetism in NaxCoO2 induced by SbCo dopants},
  author={Mohammad Hussein Naseef Assadi and S. Li and Rongkun Zheng and Simon P. Ringer and Aibing Yu},
  journal={arXiv: Materials Science},
  • M. Assadi, S. Li, A. Yu
  • Published 26 November 2012
  • Materials Science
  • arXiv: Materials Science
Through comprehensive density functional calculations, the structural, electronic and magnetic properties of both pristine and Sb doped NaxCoO2 (x = 1, 0.875 and 0.75) were investigated. Results demonstrate that Sb dopants substitute a Co within the complex NaxCoO2 lattice structure regardless of Na concentration (x). The Formation energy of SbCo dopant is 3.435 eV for x = 1, 1.805 eV for x = 0.875 and 1.150 eV for x = 0.75. Furthermore, Sb dopants induce in-plane antiferromagnetic coupling… 
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