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The effect of Bi-In hetero-antisite defects in In1-xPBix alloy

L. Y. Wu ; P. F. Lu ; C. H. Yang ; D. Liang ; C. F. Zhang ; Shumin Wang (Institutionen för mikroteknologi och nanovetenskap, Fotonik)
Journal of Alloys and Compounds (0925-8388). Vol. 674 (2016), p. 21-25.
[Artikel, refereegranskad vetenskaplig]

Bi-In hetero-antisite defects in InP:Bi alloy is performed by using first-principle calculations. It is found that the hetero-antisite defect Bi-In is energetically easier than BiP. This Bi-In defect is a deep level donor, and the related defect band is introduced by the sp-hybridization mainly between the 6s state of Bi-In and 3p states of the nearest P atoms. The band gap of InP:Bi alloy increases slightly with the increase of Bi compositions, and the relative position of the defect level remains almost unchanged. These results represent that hetero-antisite defect Bi-In does not contribute to the reduction of the band gap of InP:Bi alloy. The calculations of optical properties show that hetero-antisite defect Bi-In can contribute to the red shift phenomena observed in experiment as the Bi composition increases. In addition, the interaction of two Bi-In atoms can result in the split of the impurity band and cause a strong absorption in near-infrared region, indicating it can be a potential candidate for optoelectronics application.

Nyckelord: Dilute bismide, Hetero-antisite defects, InPBi, Impurity band



Denna post skapades 2016-05-02. Senast ändrad 2016-05-12.
CPL Pubid: 235738

 

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Institutioner (Chalmers)

Institutionen för mikroteknologi och nanovetenskap, Fotonik

Ämnesområden

Metallurgi och metalliska material

Chalmers infrastruktur