Self-compensation property of β-rhombohedral boron doped with high Li concentration

A high concentration of Li (up to LiB5.8; 18 Li/cell) was doped into β-rhombohedral boron (β-B), which has a crystalline structure built up from B12 icosahedral clusters, by sealing the raw materials in a stainless-steel tube. The relation between the structure and the electronic properties was clarified and a self-compensation property of Li- or Mg-doped β-B was discussed. The Li concentration was analyzed by atomic absorption spectrometry. The changes in the structure and the electronic properties were investigated by X-ray diffraction using the Rietveld method and by electrical conductivity measurements, respectively. Li occupies the A1, D, E and F sites, and the occupancies of the B sites (B13, B16 and B4) decrease with increasing Li doping. In Li- or Mg-doped β-B, electron doping is compensated by the removal of interstitial B atoms at the B16 site and by the generation of vacancies at the B13 and B4 sites. There have been no reports of self-compensation in other crystalline elemental semiconductors.

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► There is no report of self-compensation in the other crystalline elemental semiconductors.
► A high concentration of Li (18 Li/cell) was doped into β-rhombohedral boron.
► The electron doping is firstly compensated by the removal of interstitial B atoms.
► The electron doping is secondly compensated by the generation of vacancies.