First-Principles Calculation of Electronic Structure and Optical Properties of AZO(ZnO:Al)

Fuchun, 张富春 Zhang; Zhiyong, 张志勇 Zhang; Weihu, 张威虎 Zhang; Junfeng, 闫军锋 Yan; Jiangni, 贠江妮 Yun

doi:10.3788/aos20092904.1025

Cited by 9 publications

(2 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…From this figure, we can see the imaginary part of the dielectric function of Al-doped ZnO bulk is smaller than that of pristine ZnO bulk, and has a blue shift to the higher energy side. This result is consistent with a previous study [46]. Moreover, the main peak width of the imaginary part of the dielectric function narrows following increasing Al concentration, indicating that the range of absorption frequency narrows and the average optical transmittance increases.…”

Section: Resultssupporting

confidence: 93%

Al-Doped ZnO Monolayer as a Promising Transparent Electrode Material: A First-Principles Study

Sun

Tan

et al. 2017

Materials

View full text Add to dashboard Cite

Al-doped ZnO has attracted much attention as a transparent electrode. The graphene-like ZnO monolayer as a two-dimensional nanostructure material shows exceptional properties compared to bulk ZnO. Here, through first-principle calculations, we found that the transparency in the visible light region of Al-doped ZnO monolayer is significantly enhanced compared to the bulk counterpart. In particular, the 12.5 at% Al-doped ZnO monolayer exhibits the highest visible transmittance of above 99%. Further, the electrical conductivity of the ZnO monolayer is enhanced as a result of Al doping, which also occurred in the bulk system. Our results suggest that Al-doped ZnO monolayer is a promising transparent conducting electrode for nanoscale optoelectronic device applications.

show abstract

Section: Resultssupporting

confidence: 93%

Al-Doped ZnO Monolayer as a Promising Transparent Electrode Material: A First-Principles Study

Sun

Tan

et al. 2017

Materials

View full text Add to dashboard Cite

show abstract

“…The calculations are carried out by using the CASTEP package provided by the Material Studios 5.0 by Accelrys. The package is an ab initio quantum mechanics codes based on density functional theory [11]. In the package, the ionic potential is substituted by a pseudo-potential, the electronic wave function is expanded by the plane wave, and the exchange and correlative potential of electronic-electronic interactions are improved by the generalized gradient approximation (GGA) [12].…”

Section: Models and Calculation Methodsmentioning

confidence: 99%

First Principles Calculations of Electronic Band Structure of Nb-Doped ZnO

Zhao¹,

Zhang²,

Yang³

2012

Proceedings of the 2nd International Conference on Electronic and Mechanical Engineering and Information Technology (2012)

View full text Add to dashboard Cite

Based upon the density functional theory (DFT) in this paper, the first-principles approach is used to study the electronic band structure of Nb-doped wurtzite ZnO with different concentration. Three doped structures were considered: A Nb atom replaced by a Zn atom and two Nb atoms replaced by two Zn atoms in different positions. For the pure ZnO, the Fermi level is in the valence band maximum, but in the Nb-Doped ZnO supercell, Fermi level shifts to the conduction band and exhibits similar metallic properties.

show abstract

First-priniciple study of electrical and optical properties of (Al,Sn) co-doped ZnO

Zhao

Qiao

Guo

et al. 2016

Optik

View full text Add to dashboard Cite

First-Principles Calculation of Electronic Structure and Optical Properties of AZO(ZnO:Al)

Cited by 9 publications

References 0 publications

Al-Doped ZnO Monolayer as a Promising Transparent Electrode Material: A First-Principles Study

Al-Doped ZnO Monolayer as a Promising Transparent Electrode Material: A First-Principles Study

First Principles Calculations of Electronic Band Structure of Nb-Doped ZnO

First-priniciple study of electrical and optical properties of (Al,Sn) co-doped ZnO

Contact Info

Product

Resources

About