Prediction of a ``half semiconductor'' for spintronics in non-compensated n-p codoped TiO$_{2}$

ORAL

Abstract

Based on hybrid density functional calculations, we predict that by doping non-compensated Cr-N pairs a normal wide-band-gap semiconductor TiO$_{2}$ can be altered to a ``half semiconductor'', in which both the top and the valence band and the bottom of the conduction band are fully spin-polarized and exclusively contributed by the same spin component. The underlying formation mechanism of such an unusual band structure is revealed via detailed electronic structure analysis. The magnetic property of the material will also be discussed in this talk. Such a ``half semiconductor'' material may provide a new twist to generate and manipulate spin currents for spintronics.

*Research supported by the DOE, Office of BES, Materials Sciences and Engineering Division.

Authors

  • Wenguang Zhu

    • University of Tennessee \& Oak Ridge National Laboratory
    • Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
  • Xing-Qiu Chen

    • IInstitute of Metal Research, CAS, China
  • Hanno Weitering

    • University of Tennessee \& Oak Ridge National Laboratory
  • Zhenyu Zhang

    • University of Science and Technology of China \& Harvard University
  • G. M. Stocks

    • Oak Ridge National Laboratory