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Clustering of N impurities in ZnO
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10.1063/1.3675867
/content/aip/journal/apl/100/2/10.1063/1.3675867
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/2/10.1063/1.3675867
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Figures

Image of FIG. 1.
FIG. 1.

(Color online) Formation energy as a function of ɛ F for one 4NO cluster (solid red lines) and four isolated NO (dashed black lines) in ZnO under Zn-rich conditions. The reference for ɛ F is the VBM described in PBE-GGA approach. The ionization levels (0/-) are indicated.

Image of FIG. 2.
FIG. 2.

(Color online) Approximate QP band structures of neutral (a), charged (b), neutral (c), and charged (d) complexes in ZnO. The electronic bands due to the defect states appear in the lower part of the gap as isolated lines (above the dense black area). In the color online version they are indicated by red (fully occupied) and blue (topmost defect state, partially occupied or empty in the neutral case and hence indicating the position of the Fermi level) lines, whereas ZnO band states are described by black solid lines (dense black region in the black-and-white print version). The energy zero is set to the VBM for undoped ZnO.

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/content/aip/journal/apl/100/2/10.1063/1.3675867
2012-01-10
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Clustering of N impurities in ZnO
http://aip.metastore.ingenta.com/content/aip/journal/apl/100/2/10.1063/1.3675867
10.1063/1.3675867
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