scholarly journals Piezoelectricity in ZnO nanowires: A first-principles study

2006 ◽  
Vol 89 (22) ◽  
pp. 223111 ◽  
Author(s):  
H. J. Xiang ◽  
Jinlong Yang ◽  
J. G. Hou ◽  
Qingshi Zhu
Keyword(s):  
First Principles ◽  
Zno Nanowires ◽  
First Principles Study

First-Principles Study of Fe-Doped ZnO Nanowires

2011 ◽  
Vol 28 (12) ◽  
pp. 126102 ◽  
Author(s):  
Fu-Chun Zhang ◽  
Wei-Hu Zhang ◽  
Jun-Tang Dong ◽  
Zhi-Yong Zhang
Keyword(s):  
First Principles ◽  
Zno Nanowires ◽  
First Principles Study ◽  
Doped Zno

First-principles study of the electronic and optical properties of ZnO nanowires

2009 ◽  
Vol 18 (6) ◽  
pp. 2508-2513 ◽  
Author(s):  
Zhang Fu-Chun ◽  
Zhang Zhi-Yong ◽  
Zhang Wei-Hu ◽  
Yan Jun-Feng ◽  
Yong Jiang-Ni
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Zno Nanowires ◽  
Electronic And Optical Properties ◽  
First Principles Study

Size Effect of Piezoelectricity in ZnO Nanowires: A First-Principles Study

2015 ◽  
Vol 645-646 ◽  
pp. 275-280
Author(s):  
Chuan Qion Qin ◽  
You Song Gu ◽  
Xu Sun ◽  
Chen Li ◽  
Yue Zhang
Keyword(s):  
Density Functional Theory ◽  
Size Effect ◽  
First Principles ◽  
Size Effects ◽  
Density Functional ◽  
Piezoelectric Properties ◽  
Zno Nanowires ◽  
New Method ◽  
Functional Theory ◽  
First Principles Study

Piezoelectric properties of ZnO nanowires orientated along [0001] are investigated via density functional theory (DFT). A new method to calculate the volume of nanowires was proposed, which is crucial to the value of piezoelectric coefficients. Results show that the axial effective piezoelectric coefficients are 29.99 Cm-2, 25.93 Cm-2, 22.82 Cm-2 for ZnO nanowires with diameters of about 0.6 nm, 1.2 nm, 1.8 nm, which are considerably larger than that of the bulk (20.19Cm-2). It is found that the change in volume during the strain played a dominated role in size effects. This work helps to gain a deeper understanding of the piezoelectric size effects in ZnO nanowires.

Hydrogen and oxygen adsorption on ZnO nanowires: A first-principles study

2009 ◽  
Vol 79 (7) ◽  
Author(s):  
Hu Xu ◽  
Wei Fan ◽  
A. L. Rosa ◽  
R. Q. Zhang ◽  
Th. Frauenheim
Keyword(s):  
First Principles ◽  
Oxygen Adsorption ◽  
Zno Nanowires ◽  
First Principles Study

scholarly journals Ferromagnetism in Gd doped ZnO nanowires: A first principles study

2014 ◽  
Vol 116 (23) ◽  
pp. 233906 ◽  
Author(s):  
S. Assa Aravindh ◽  
Udo Schwingenschloegl ◽  
Iman S. Roqan
Keyword(s):  
First Principles ◽  
Zno Nanowires ◽  
First Principles Study ◽  
Doped Zno

Group III dopant segregation and semiconductor-to-metal transition in ZnO nanowires: a first principles study

RSC Advances ◽  
2013 ◽  
Vol 3 (43) ◽  
pp. 19793 ◽  
Author(s):  
Maojie Xu ◽  
Yaozhong Zhang ◽  
Liangming Wei ◽  
Jing Zhang ◽  
Bingjian Qian ◽  
...  
Keyword(s):  
First Principles ◽  
Zno Nanowires ◽  
Dopant Segregation ◽  
Group Iii ◽  
First Principles Study
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