Electronic and transport properties of nitrogen and boron doped zigzag silicon carbide nanoribbons: First principle study

被引:5
作者
Chauhan, Satyendra Singh [1 ]
Narwariya, Premlata [2 ]
Shrivasatava, A. K. [2 ]
Srivastava, Pankaj [3 ]
机构
[1] Inst Technol & Management, NH-75 Opposite Sithouli Rly Stn,Jhansi Rd, Gwalior 474001, MP, India
[2] Jiwaji Univ, Gwalior, India
[3] ABV Indian Inst Informat Technol & Management, Gwalior, MP, India
关键词
SiC nanoribbons; Doping; Band gap; Density functional theory; CARBON; NANOWIRES; NANOTUBES;
D O I
10.1016/j.ssc.2021.114476
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We have performed a theoretical ab-initio calculation for the stability and electronic properties of pristine as well as Boron and Nitrogen doped zigzag silicon carbide Nanoribbons (ZSiCNR). We observed that the boron and nitrogen atoms energetically prefer to be localized at the edges of the nanoribbons. However, boron preferentially substitutes at silicon site and nitrogen prefers to occupy carbon site. The energy calculation reveals that the nitrogen substitution is the most preferred configuration in terms of stability. The substitution of boron and nitrogen impurity atom transforms narrow band gap semiconductor to metallic systems at most of doping sites.
引用
收藏
页数:6
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