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Edge-passivation induced half-metallicity of zigzag zinc oxide nanoribbons
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10.1063/1.3238561
/content/aip/journal/apl/95/13/10.1063/1.3238561
http://aip.metastore.ingenta.com/content/aip/journal/apl/95/13/10.1063/1.3238561
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Figures

Image of FIG. 1.
FIG. 1.

(a) Graphiticlike sheet of ZnO optimized from the surfaces in wurtzite structure and (b) atomic geometry of the optimized 9-ZZnONR without edge passivation. The number stands for the width of the ribbons and the rectangular box indicates the supercell. The red (deep) and gray (light) colors represent O and Zn atoms, respectively.

Image of FIG. 2.
FIG. 2.

(a) Band structure and PDOS of 8-ZZnONR, (b) spin density, and (c) charge density of band a at the gamma point in the spin-up channel.

Image of FIG. 3.
FIG. 3.

(a) Magnetic moment per unit cell, (b) band gap in spin-up channel, and (c) half-metal gap of ZZnONR-ZnH with different widths.

Image of FIG. 4.
FIG. 4.

(a) Band structure and PDOS of 8-ZZnONR-ZnH, (b) spin density, and (c) charge density of spin-up band a at the gamma point.

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/content/aip/journal/apl/95/13/10.1063/1.3238561
2009-10-01
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Edge-passivation induced half-metallicity of zigzag zinc oxide nanoribbons
http://aip.metastore.ingenta.com/content/aip/journal/apl/95/13/10.1063/1.3238561
10.1063/1.3238561
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