SEM images of (a) ZTO nanowires, and ZTO:Mn nanowires with Mn contents of (b) 1.4 and (c) 2.3 at.%. Insets show magnified images of individual nanowires.
XRD patterns of ZTO and ZTO:Mn nanowires with Mn contents of 1.4 and 2.3 at.%.
Room temperature Raman spectra of ZTO and ZTO:Mn nanowires with Mn contents of 1.4 and 2.3 at.%.
XPS spectrum of the Mn 2p region of ZTO:Mn nanowires with Mn content of 2.3 at.%. Inset shows an enlargement of the Mn 2p 3/2 peak and fitted curve (red).
(a) Magnetization versus magnetic field for ZTO and ZTO with Mn contents of 1.4 and 2.3 at.%, at 300 K. (b) Corresponding ferromagnetic hysteresis loops after subtracting the diamagnetic contribution from the substrate.
ZTO supercell with spinel structure. Large red balls: O; Gray balls: Zn; Purple balls: Sn. Sites marked A and B indicate NN Sn atoms, C and D indicate NN Zn atoms, and B and C indicate NN Sn and Zn atoms.
Formation energies of neutral MnSn, MnZn and MnSn-MnZn complexes in ZTO:Mn under O-, Zn-, Mn- and Sn-rich conditions.
(a)–(c) Calculated total and partial DOS and (d)–(f) spin density distributions of different substitution configurations in ZTO:Mn. Filled areas in (a)–(c) represent partial DOS of Mn-3d states. The Fermi level is set at zero. Atom coloring in (d)–(f) is as in FIG. 6 .
Calculated magnetic moments (μB/Mn) and energy (E) differences (meV) between AFM and FM states.
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