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Phosphorus‐Doped CdS Nanowires Showing n ‐Type Behavior
Author(s) -
Zeng Yijie,
Li Song,
Xie Ruikuan,
Huang Yan,
Lu Aijiang,
Fong Ching Yao,
Chen Xiaoshuang,
Xing Huaizhong,
Yao Daoxin
Publication year - 2018
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201800294
Subject(s) - doping , dangling bond , ion , atom (system on chip) , nanowire , materials science , sulfur , phosphorus , chemical physics , crystallography , chemistry , nanotechnology , silicon , optoelectronics , metallurgy , organic chemistry , computer science , embedded system
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.