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

页码：371 / 375

页数：5

共 42 条

[1] An empirical interatomic potential approach to structural stability of ZnS and ZnSe nanowires [J].

Akiyama, Toru ;

Sano, Kosuke ;

Nakamura, Kohji ;

Ito, Tomonori .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, 2007, 46 (4A) :1783-1787

[2] Silicon-induced oriented ZnS nanobelts for hydrogen sensitivity [J].

Chen, Zhi-Gang ;

Zou, Jin ;

Liu, Gang ;

Lu, Hao Feng ;

Li, Feng ;

Lu, Gao Qing ;

Cheng, Hui Ming .

NANOTECHNOLOGY, 2008, 19 (05)

[3] AN ALL-ELECTRON NUMERICAL-METHOD FOR SOLVING THE LOCAL DENSITY FUNCTIONAL FOR POLYATOMIC-MOLECULES [J].

DELLEY, B .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (01) :508-517

[4] From molecules to solids with the DMol3 approach [J].

Delley, B .

JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (18) :7756-7764

[5] Surface synthesis of zinc sulfide nanoparticles on silica microspheres: Sonochemical preparation, characterization, and optical properties [J].

Dhas, NA ;

Zaban, A ;

Gedanken, A .

CHEMISTRY OF MATERIALS, 1999, 11 (03) :806-813

[6] Size-dependent optical and electrochemical band gaps of ZnS nanorods fabricated through single molecule precursor route [J].

Geng, B. Y. ;

Liu, X. W. ;

Ma, J. Z. ;

Du, Q. B. ;

Zhang, L. D. .

APPLIED PHYSICS LETTERS, 2007, 90 (18)

[7] Structure and optical properties of periodically twinned ZnS nanowires [J].

Geng, BY ;

Liu, XW ;

Du, QB ;

Wei, XW ;

Zhang, LD .

APPLIED PHYSICS LETTERS, 2006, 88 (16)

[8] SELF-ENERGY OPERATORS AND EXCHANGE-CORRELATION POTENTIALS IN SEMICONDUCTORS [J].

GODBY, RW ;

SCHLUTER, M ;

SHAM, LJ .

PHYSICAL REVIEW B, 1988, 37 (17) :10159-10175

[9] Metallization of ZnO nanowires from partial hydrogen adsorption [J].

Jia, Jianming ;

Shi, Daning ;

Zhao, Jijun ;

Wang, Baolin .

NANOTECHNOLOGY, 2007, 18 (45)

[10] Simultaneous in situ formation of ZnS nanowires in a liquid crystal template by γ-irradiation [J].

Jiang, X ;

Xie, Y ;

Lu, J ;

Zhu, LY ;

He, W ;

Qian, YT .

CHEMISTRY OF MATERIALS, 2001, 13 (04) :1213-1218

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