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DX centers in CdTe: A density functional study
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10.1063/1.2920203
/content/aip/journal/apl/92/18/10.1063/1.2920203
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/18/10.1063/1.2920203
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The structures of the BB-DX, -CCB-DX, and -CCB-DX centers in CdTe doped with either group-VII atoms [(a)–(c)] or group-III atoms [(d)–(f)]. The red and blue atoms are the Cd and Te atoms, respectively. The green and golden atoms are the group-VII and group-III dopant atoms, respectively. For Cl-induced DX center, a variant of the BB-DX center (the dopant is displaced in the direction instead of the Cd being displaced in the [111] direction) is more stable than that shown in (a). However, for Br- and I-induced DX centers, the structure shown in (a) is the most stable BB-DX structure.

Image of FIG. 2.
FIG. 2.

The formation energies of various DX centers in CdTe doped with group-VII or group-III atoms. Structures of DX centers are shown in Fig. 1.

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/content/aip/journal/apl/92/18/10.1063/1.2920203
2008-05-09
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: DX centers in CdTe: A density functional study
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/18/10.1063/1.2920203
10.1063/1.2920203
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