Phosphorus-Doped CdS Nanowires Showing n-Type Behavior

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

1 Scopus Citations
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Author(s)

  • Yijie Zeng
  • Ruikuan Xie
  • Yan Huang
  • Aijiang Lu
  • Ching Yao Fong
  • Xiaoshuang Chen
  • Huaizhong Xing
  • Dao-xin Yao

Detail(s)

Original languageEnglish
Article number1800294
Number of pages7
Journal / PublicationPhysica Status Solidi (B) Basic Research
Volume255
Issue number10
Online published26 Aug 2018
Publication statusPublished - Oct 2018

Abstract

Experimental work on phosphorus (P)-doped cadmium sulfur (CdS) nanowires (NWs) shows unusual n-type electrical character, its physical origin is not well understood. Here this problem has been addressed by considering possible doping sites (interstitial, anion and cation sites), the distance of the doping site to NW surface, and the influence of dangling bond of host atoms. The P atom favors either a surface cation or a surface anion site, depending on the Cd chemical potential which reflects growth condition. At a surface anion site three p-type levels appear in the gap. On the other hand, at a surface cation site there is only one shallow n-type level in the gap, due to the s state of the P atom extending along the surface, as verified by both GGA and rough Meta-GGA calculations. The physical origin of the n-type behavior for P-doped CdS NWs is explained by assuming the P atom adopts the surface cation site, neglecting composite structure P atom forming with intrinsic defects.

Research Area(s)

  • CdS nanowires, first-principles calculations, n-type, phosphorus doping

Citation Format(s)

Phosphorus-Doped CdS Nanowires Showing n-Type Behavior. / Zeng, Yijie; Li, Song; Xie, Ruikuan et al.
In: Physica Status Solidi (B) Basic Research, Vol. 255, No. 10, 1800294, 10.2018.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review