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First-principles study of native defects in TlBr: Carrier trapping, compensation, and polarization phemomenon
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10.1063/1.3476564
/content/aip/journal/jap/108/5/10.1063/1.3476564
http://aip.metastore.ingenta.com/content/aip/journal/jap/108/5/10.1063/1.3476564
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Figures

Image of FIG. 1.
FIG. 1.

Calculated formation energies for native point defects in TlBr for (a) (Tl-rich limit), (b) , and (c) (Br rich limit). The slopes of the energy lines correspond to the charge states of the defects, as selectively shown in (b). The points at which the slopes change are transition energy levels. Note in (b) the thick red energy lines for and that cross near the midgap, pinning the Fermi level.

Image of FIG. 2.
FIG. 2.

Structure of simple-cubic TlBr cell. Sites A and B are two interstitial sites.

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/content/aip/journal/jap/108/5/10.1063/1.3476564
2010-09-02
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First-principles study of native defects in TlBr: Carrier trapping, compensation, and polarization phemomenon
http://aip.metastore.ingenta.com/content/aip/journal/jap/108/5/10.1063/1.3476564
10.1063/1.3476564
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