On the transparent conducting oxide Al doped ZnO: First Principles and Boltzmann equations study

Slassi, Amine; Naji, S.; Benyoussef, A.; Hamedoun, M.; Kenz, A. El

doi:10.1016/j.jallcom.2014.03.177

Cited by 40 publications

(18 citation statements)

References 56 publications

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“…The results of the optimized lattice constants of pure ZnO have been reported in our previous article [9]. In order to compare with our results, the different pure ZnO results are introduced.…”

Section: Introductionmentioning

confidence: 76%

Section: X= Sn Ti and Zr)mentioning

confidence: 99%

“…These values are related to the optical vertical transition between states at the appropriate k-point matching the initial valence band states to the unoccupied states around the Fermi level according to what was reported in the Bursteinmoss effect. It is interesting to note that, the onset of spectra of pure ZnO was reported only at 2.6 eV (fewer than those of doped ZnO) [9]; which suggest that the optical transition between the valence band and the conduction band require more energy in the case of the doped ZnO systems. The peaks at 1.48, 0.19 and 0.65 eV should mainly be caused by transitions between occupied impurity shallow sates and unoccupied states at the bottom of the conduction band of Sn-, Ti-and Zr-doped ZnO, respectively.…”

mentioning

confidence: 98%

“…The highest value of the electrical conductivity shown in the Ti-and Zr-doped ZnO systems could be relatively useful for transparent conducting electrode application. Furthermore, the calculated electrical conductivity of the Ti-and Zr-doped ZnO is considered high as compared to that of the Al-doped ZnO at the same doping level [9].In summary, the structural, electronic, optical and electrical properties of Sn-, Ti-and Zrdoped ZnO were investigated. The results show that the Ti-and Zr-doped ZnO could be useful as a transparent conducting oxide thanks to blue-shifting in band gap and high electrical conductivity at room temperature.…”

mentioning

confidence: 99%

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Ab initio study on the electronic, optical and electrical properties of Ti-, Sn- and Zr-doped ZnO

Slassi

Lakouari

Ziat

et al. 2015

Solid State Communications

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Section: Introductionmentioning

confidence: 76%

Section: X= Sn Ti and Zr)mentioning

confidence: 99%

mentioning

confidence: 98%

mentioning

confidence: 99%

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Ab initio study on the electronic, optical and electrical properties of Ti-, Sn- and Zr-doped ZnO

Slassi

Lakouari

Ziat

et al. 2015

Solid State Communications

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“…Recently, Tran and Blaha (2009) have developed a modified version of Becke-Johnson functional TB-mBJ. As compared to the generalized gradient approximation (GGA) or the local density approximation (LDA); the Tb-mBJ approach computes accurately the band gaps for a wide range of semiconductors (Slassi 2015a, b;Slassi et al 2014Slassi et al , 2015Luis et al 2011;Obukuro et al 2014).…”

mentioning

confidence: 99%

New potential dopants for BaSnO3-based transparent conducting oxides

Slassi

2016

Opt Quant Electron

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In this paper, we present ab initio calculations to evaluate the potential of alternative dopants for mono-doping BaSnO 3 in order to develop new BaSnO 3 -based transparent conducting oxides. The calculations have been carried out using the density functional theory and semi-classical Boltzmann equations to investigate the structural, electronic structure, optical and electrical transport properties of doped BaSnO 3 systems. The results would help to plan the future experimental works.

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Revisiting the Optical Dispersion of Aluminum‐Doped Zinc Oxide: New Perspectives for Plasmonics and Metamaterials

Shabani

Nezhad

Rahmani

et al. 2021

Advanced Photonics Research

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Due to the high rate of optical losses and the extensive usage of noble metals, alternative plasmonic materials with maximum tunability and low loss are desired for future plasmonic and metamaterial devices and applications. Herein, the potential of aluminum‐doped zinc oxide (AZO), one of the most prominent members of the transparent conducting oxide family, is demonstrated, for its applicability in plasmonic metamaterials. Using first‐principles density functional theory, combined with optical calculations, AZO‐based, plasmonic split‐ring resonators (SRRs) as model examples are showcased. The results match with experimental reports for the optical dielectric functions of pure and 2.08% Al‐doped zinc oxide (ZnO), if the Hubbard model to the local density approximation is applied. The broadband optical dispersion data for varying dopant concentrations (0%, 2.08%, and 6.25%) are extracted and provided. The subsequent optical response analyses show the existence of pronounced plasmons and inductor–capacitor modes in Al‐doped ZnO SRRs and an enhancement in metallic characteristics and plasmonic performance of AZO upon increasing Al concentration. The findings predict AZO as a low‐loss plasmonic material with promising capability for enhancing future optoelectronics applications. The method introduces a new, versatile approach to design future optical materials of arbitrary geometry.

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On the transparent conducting oxide Al doped ZnO: First Principles and Boltzmann equations study

Cited by 40 publications

References 56 publications

Ab initio study on the electronic, optical and electrical properties of Ti-, Sn- and Zr-doped ZnO

Ab initio study on the electronic, optical and electrical properties of Ti-, Sn- and Zr-doped ZnO

New potential dopants for BaSnO3-based transparent conducting oxides

Revisiting the Optical Dispersion of Aluminum‐Doped Zinc Oxide: New Perspectives for Plasmonics and Metamaterials

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