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Experimental and first-principles study of ferromagnetism in Mn-doped zinc stannate nanowires
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10.1063/1.4815884
/content/aip/journal/jap/114/3/10.1063/1.4815884
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/3/10.1063/1.4815884

Figures

Image of FIG. 1.
FIG. 1.

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.

Image of FIG. 2.
FIG. 2.

XRD patterns of ZTO and ZTO:Mn nanowires with Mn contents of 1.4 and 2.3 at.%.

Image of FIG. 3.
FIG. 3.

Room temperature Raman spectra of ZTO and ZTO:Mn nanowires with Mn contents of 1.4 and 2.3 at.%.

Image of FIG. 4.
FIG. 4.

XPS spectrum of the Mn 2 region of ZTO:Mn nanowires with Mn content of 2.3 at.%. Inset shows an enlargement of the Mn 2 peak and fitted curve (red).

Image of FIG. 5.
FIG. 5.

(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.

Image of FIG. 6.
FIG. 6.

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.

Image of FIG. 7.
FIG. 7.

Formation energies of neutral Mn, Mn and Mn-Mn complexes in ZTO:Mn under O-, Zn-, Mn- and Sn-rich conditions.

Image of FIG. 8.
FIG. 8.

(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-3 states. The Fermi level is set at zero. Atom coloring in (d)–(f) is as in FIG. 6 .

Tables

Generic image for table
Table I.

Calculated magnetic moments (μ/Mn) and energy (E) differences (meV) between AFM and FM states.

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/content/aip/journal/jap/114/3/10.1063/1.4815884
2013-07-17
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Experimental and first-principles study of ferromagnetism in Mn-doped zinc stannate nanowires
http://aip.metastore.ingenta.com/content/aip/journal/jap/114/3/10.1063/1.4815884
10.1063/1.4815884
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