A simplified approach to the band gap correction of defect formation energies: Al, Ga, and In-doped ZnO

Saniz, R.; Xu, Yongkang; Matsubara, Masahiko; Amini, Mozhgan N.; Dixit, Hemant; Lamoen, D.; Partoens, B.

doi:10.1016/j.jpcs.2012.07.017

Cited by 39 publications

(20 citation statements)

References 52 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Generally, it is assumed that only Al Zn is effective as a stable n‐type shallow donor in a 1+ charge state. The contribution of interstitial Al dopants to the conductivity in AZO is still highly questioned . Avandhut et al excluded these defects as a source of doping in ZnO using solid‐state NMR measurements and DFT calculations .…”

Section: Transport Processes In Znomentioning

confidence: 99%

Possibilities of Increasing the Usability of Sputtered AZO Films as a Transparent Electrode

Novák

2019

Physica Status Solidi (a)

View full text Add to dashboard Cite

Aluminum-doped zinc oxide (AZO) is a suitable material for use as transparent electrode. Due to its lower price it is applied in the production of silicon solar cells. However, it is difficult to obtain suitable electrical properties at low deposition temperatures. Moreover, the AZO films with low thickness exhibit significantly higher average resistivity, which limits their usability, especially if they are prepared on flexible substrates. A lot of effort is invested to replace indium tin oxide (ITO) to a much greater extent now, since Indium is rare and its price is rising, thus the preparation of lowthickness AZO films at low temperature is also subject of intense research. The presented paper summarizes the reported results, discusses the causes of the differences between ITO and AZO films, and suggests the direction of research and the potential solution that should lead to increased usability of AZO films and also possible replacement of ITO films.

show abstract

Section: Transport Processes In Znomentioning

confidence: 99%

Possibilities of Increasing the Usability of Sputtered AZO Films as a Transparent Electrode

Novák

2019

Physica Status Solidi (a)

View full text Add to dashboard Cite

show abstract

“…7, the opposite is the case and the GZO samples exhibit the highest shift except for the AZO-4 film, in which the (002) texture was lost. The behavior of the other AZO films can be explained considering that Al is much more prone to occupy interstitial sites [24], which tend to expand the crystal lattice by pushing their nearest neighbors. Another explanation can be that Al is partly incorporated through the formation of secondary phases [25,26].…”

Section: Dopant Incorporationmentioning

confidence: 99%

Comparison of chemical bath-deposited ZnO films doped with Al, Ga and In

et al. 2017

View full text Add to dashboard Cite

A comparative study is presented on chemical bath-deposited ZnO films, doped with the group-13 metals Al, Ga and In. The study reveals marked differences in dopant incorporation in the films, which increases in the order: In, Al and Ga. The presence of dopant in the solution induces significant modifications in the deposition rate, which varies between 110 and 40 nm min -1 . All films are (002)-textured, whereas the lattice stress evolution with the dopant type and concentration suggests that Ga has the highest degree of substitutional incorporation in Zn sites. The average visible transmittance is higher than 80%, while the infrared reflectivity depends on the free carrier density in the films, which is the lowest for undoped ZnO and increases in the order: In-, Al-and Ga-doped ZnO. Optical measurements also yield an inverse correlation between carrier density and mobility. Doping enlarges the bandgap, as well as the Urbach energy that is related to the films' disorder. The lowest electrical resistivity, measured by fourpoint probe, is 1.7 9 10 -2 X cm and is obtained for In-doped films after being exposed to ultraviolet light. Ga-doped films are found to exhibit the highest stability of the conductivity upon ultraviolet exposure.

show abstract

“…[54][55][56] However, recent progress in DFT shows that defect states can be more accurately described with hybrid functionals, such as the (atomic) self-interaction corrected functional (SIC or ASIC) or the Heyd, Scuseria, and Ernzerhof (HSE) functional. [56][57][58][59][60][61][62] These approaches can accurately account for the self-interaction correction, which not only act upon the levels on which U is applied but on the whole electronic structure. Hence, more accurate defect states are expected from such types of calculations.…”

Section: Interaction Of O Vacancies With LImentioning

confidence: 99%

Stabilizing intrinsic defects in SnO2

et al. 2013

View full text Add to dashboard Cite

The magnetism and electronic structure of Li-doped SnO 2 are investigated using first-principles LDA/LDA+U calculations. We find that Li induces magnetism in SnO 2 when doped at the Sn site but becomes nonmagnetic when doped at the O and interstitial sites. The calculated formation energies show that Li prefers the Sn site as compared with the O site, in agreement with previous experimental works. The interaction of Li with native defects (Sn V Sn and O V O vacancies) is also studied, and we find that Li not only behaves as a spin polarizer, but also a vacancy stabilizer, i.e., Li significantly reduces the defect formation energies of the native defects and helps the stabilization of magnetic oxygen vacancies. The electronic densities of states reveals that these systems, where the Fermi level touches the conduction (valence) band, are nonmagnetic (magnetic).

show abstract

A simplified approach to the band gap correction of defect formation energies: Al, Ga, and In-doped ZnO

Cited by 39 publications

References 52 publications

Possibilities of Increasing the Usability of Sputtered AZO Films as a Transparent Electrode

Possibilities of Increasing the Usability of Sputtered AZO Films as a Transparent Electrode

Comparison of chemical bath-deposited ZnO films doped with Al, Ga and In

Stabilizing intrinsic defects in SnO2

Contact Info

Product

Resources

About