Incorporation, valence state, and electronic structure of Mn and Cr in bulk single crystal β-Ga2O3.

Autor: Lovejoy, T. C., Chen, Renyu, Yitamben, E. N., Shutthanadan, V., Heald, S. M., Villora, E. G., Shimamura, K., Zheng, S., Dunham, S. T., Ohuchi, F. S., Olmstead, M. A.
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Zdroj: Journal of Applied Physics; Jun2012, Vol. 111 Issue 12, p123716, 9p
Abstrakt: Single crystals of transition metal (TM) doped β-Ga2O3, a wide gap semiconductor system of interest for transparent conductive oxide and diluted magnetic semiconductor applications, have been studied in the dilute, non-interacting limit (≤0.06 cation %). Based on optical absorption, particle induced x-ray emission, and Rutherford backscattering measurements, Mn does not incorporate as well as Cr, and Mn degrades the crystal quality. Using superconducting quantum interference device (SQuID) magnetometry, a Brillouin type paramagnetic magnetization is observed for Mn or Cr doped crystals with an effective number of Bohr magnetons per TM ion of 5.88 ± 0.1 or 3.95 ± 0.1, respectively. A trace ferromagnetic signal is consistent with a very small concentration of secondary phases in the Mn-doped crystal. The position of the edge in x-ray absorption near edge structure (XANES) measurements suggests that the Cr takes the 3+ valence, while a mixture of Mn2+ and Mn3+ are present; based on the absence of a prominent pre-edge feature in the XANES, both TM predominantly occupy an octahedral site in β-Ga2O3. Density functional theory (DFT) results, optical absorption and SQuID data are consistent with this assignment. While the Cr-doped crystal is conductive, the Mn-doped crystal is insulating, which is consistent with the Mn2+/Mn3+ mixed valence, assuming the Fermi level is pinned mid-gap at the Mn 2+/3+ transition level, which is predicted by DFT to be 1.8 eV above the valence band maximum. [ABSTRACT FROM AUTHOR]
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