The stability and electronic properties of wurtzite and zinc-blende ZnS nanowires

被引：62
作者：
Chen, Hongxia [1 ,2 ]
Shi, Daning [1 ]
Qi, Jingshan [1 ]
Jia, Jianming [1 ]
Wang, Baolin [1 ,3 ]
机构：
[1] Nanjing Univ Aeronaut & Astronaut, Dept Phys, Nanjing 210016, Peoples R China
[2] Yancheng Teachers Univ, Dept Phys, Yancheng 224002, Peoples R China
[3] Nanjing Univ, Dept Phys, Nanjing 210093, Peoples R China
来源：
PHYSICS LETTERS A | 2009年 / 373卷 / 03期
基金：
芬兰科学院;
关键词：
Nanowires; Stability; Electronic properties; Density functional theory; PHOTOLUMINESCENCE PROPERTIES; NANOTUBES; FABRICATION; NANOCABLES; DEPOSITION; TEMPLATE;
D O I：
10.1016/j.physleta.2008.11.060
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The stability and electronic properties of the pristine wurtzite (WZ) and zinc-blende (ZB) structural ZnS nanowires are investigated and compared by using first-principles approaches. It shows that the WZ-ZnS nanowire is more stable energetically than the ZB-ZnS nanowire. The two kinds of ZnS nanowires have different electronic properties due to both the quantum confinement effect and the surface effect. The band gaps of pristine WZ nanowires become larger than that of the corresponding bulk ZnS, while those of ZB nanowires are smaller. The electronic properties of the hydrogen-passivated WZ-ZnS and ZB-ZnS nanowires are further calculated. The underlying physical reason for their energetic and electronic structures is elucidated. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码：371 / 375
页数：5
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