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The band structure of MgB$_{2}$ with different lattice constants

Materials Science 2009-11-07 v3 Superconductivity

Abstract

We report a detailed study of the electronic structure of the MgB2_{2} with different lattice constants by using the full-potential linearized augmented plane wave(FPLAPW) method. It is found that the lattice parameters have great effect on the σ\sigma band of Boron. Our results indicate that increasing lattice constant along the {\it c} axis will increase the density of states(DOS) at the Fermi level, making the σ\sigma band upward shift, and increasing hole number in the σ\sigma band. So, the superconducting transition temperature Tc_{c} will be raised correspondingly. Changing the lattice constant along {\it a} axis has an opposite effect to that of along {\it c} axis. Our result is in agreement with experiment. A possible way of searching for higher Tc_{c} superconductor has been indicated, i.e., making MgB2_{2} to have longer {\it c} axis and shorter {\it a, b} axis by doping.

Keywords

Cite

@article{arxiv.cond-mat/0104216,
  title  = {The band structure of MgB$_{2}$ with different lattice constants},
  author = {Xiangang Wan and Jinming Dong and Hongming Weng and D. Y. Xing},
  journal= {arXiv preprint arXiv:cond-mat/0104216},
  year   = {2009}
}

Comments

10 pages, 3 figures