Electronic structure, chemical bonding and properties of Sn1−xMxO2, M=As, Sb, Bi, V, Nb, Ta (0.0⩽x⩽0.25)

Zaĭnullina, V. M.

doi:10.1016/j.physb.2006.10.006

Cited by 17 publications

(6 citation statements)

References 27 publications

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“…High values over 80 cm 2 V À1 s À1 have been reported in In 2 O 3 thin films doped with Mo, [4][5][6] W, 7) Ti, 8) Zr, 9) and H. 10) However, such high mobility has not been attained in SnO 2 -based TCOs thus far. 11) In this paper, we report on the fabrication of high-mobility Ta-doped SnO 2 (Sn 1Àx Ta x O 2 ; TTO) thin films [12][13][14][15][16][17] on glass substrates with an anatase TiO 2 seed layer by pulsed laser deposition (PLD). In order to realize the preferred growth of the TTO film on the glass substrate, we employed a seedlayer technique: 17,18) a thin seed layer deposited on glass is used as a template on which a high-quality TTO film is grown.…”

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confidence: 99%

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High Mobility Exceeding 80 cm²V^-1s^-1in Polycrystalline Ta-Doped SnO₂Thin Films on Glass Using Anatase TiO₂Seed Layers

Nakao

Yamada

Hitosugi

et al. 2010

Appl. Phys. Express

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High-mobility Ta-doped SnO2 (TTO) thin films were grown on glass substrates by pulsed laser deposition using a seed-layer technique. The use of 10-nm-thick polycrystalline anatase TiO2 seed layers was found to lead to the preferred growth of (200)-oriented TTO films, resulting in a 30% increase in the carrier density and a more than two times increase in mobility, compared to films grown directly on the glass substrates. The highest mobility obtained was 83 cm2 V-1 s-1 with a resistivity of 2.8×10-4 Ω cm, whereas the film with the lowest resistivity of 1.8×10-4 Ω cm had a mobility of 60 cm2 V-1 s-1.

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confidence: 99%

“…Such a high activation efficiency is a characteristic feature of TTO. 12,16) For x > 0:03, n e becomes saturated at a value of $7 Â 10 20 cm À3 .…”

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confidence: 99%

High Mobility Exceeding 80 cm²V^-1s^-1in Polycrystalline Ta-Doped SnO₂Thin Films on Glass Using Anatase TiO₂Seed Layers

Nakao

Yamada

Hitosugi

et al. 2010

Appl. Phys. Express

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“…Indeed, a first-principles calculation predicted that Nb doping, as well as Ta doping, can generate carriers with high density (n e ). 7) Contrary to the theoretical prediction, the n e values attained in Nb-doped SnO 2 (NTO) thin films were less than 6 Â 10 19 cm À3 , resulting in relatively higher on the order of 10 À3 cm. [8][9][10][11] This is in sharp contrast to the highly effective carrier generation by Ta doping.…”

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confidence: 76%

Enhanced Carrier Generation in Nb-Doped SnO$_{2}$ Thin Films Grown on Strain-Inducing Substrates

Nakao

Yamada

Hirose

et al. 2012

Appl. Phys. Express

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We report the effect of lattice strain from the substrate on carrier generation in Nb-doped SnO2 (NTO) transparent conductive oxide (TCO) thin films. The carrier activation efficiency of Nb was strongly affected by in-plane tensile strain, and the NTO films grown on c-Al2O3 and anatase TiO2 seed layers had carrier density (ne) as high as 3×1020 cm-3. In contrast, strain-free NTO films grown on glass exhibited much smaller ne due to the formation of deep impurity levels. These results imply that NTO has potential as a practical TCO in the presence of substrate–film epitaxial interaction.

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“…The characteristics of the electronic structure obtained with the calculations made in this study are compatible with the standard DFT and hybrid DFT studies that have been done before. 31,39,[43][44][45][46] By comparison, LDA can describe rutile SnO 2 better than GGA-PBE. One of the aims of this present work is to use this feature of the LDA.…”

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confidence: 99%

Use of local density approximation within range separated hybrid exchange-correlation functional to investigate Pb doped SnO$_2$ as an electron transport layer

Çelik

2020

Preprint

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In this study, the structural, electronic and optical properties of Pb doped rutile SnO2 were investigated using the range separated hybrid exchange-correlation functional method. In the calculations, LDA pseudopotentials were used instead of the standard PBE pseudopotentials. According to the results obtained in this present work, when the LDA pseudopotentials are used instead of PBE pseudopotentials in HSE06 method with a mixing parameter of %29, the electronic structure of rutile SnO2 can be described as quite compatible with experimental data. At the same time, in the Pb doped SnO2 cases, using the same method, electronic structure, and especially the band gap were described quite compatible with the experimental data. Consistent with experimental data, the band gap narrows as the Pb doping rate increases. The computational results obtained in this study show that the reason for this narrowing is the change in the conduction band edges. Due to this effect of the Pb atom, the bandgap can be narrowed in a controlled manner by using the addition amount of the Pb atom.

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Electronic structure, chemical bonding and properties of Sn1−xMxO2, M=As, Sb, Bi, V, Nb, Ta (0.0⩽x⩽0.25)

Cited by 17 publications

References 27 publications

High Mobility Exceeding 80 cm²V^-1s^-1in Polycrystalline Ta-Doped SnO₂Thin Films on Glass Using Anatase TiO₂Seed Layers

High Mobility Exceeding 80 cm²V^-1s^-1in Polycrystalline Ta-Doped SnO₂Thin Films on Glass Using Anatase TiO₂Seed Layers

Enhanced Carrier Generation in Nb-Doped SnO$_{2}$ Thin Films Grown on Strain-Inducing Substrates

Use of local density approximation within range separated hybrid exchange-correlation functional to investigate Pb doped SnO$_2$ as an electron transport layer

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Electronic structure, chemical bonding and properties of Sn1−xMxO2, M=As, Sb, Bi, V, Nb, Ta (0.0⩽x⩽0.25)

Cited by 17 publications

References 27 publications

High Mobility Exceeding 80 cm2V-1s-1in Polycrystalline Ta-Doped SnO2Thin Films on Glass Using Anatase TiO2Seed Layers

High Mobility Exceeding 80 cm2V-1s-1in Polycrystalline Ta-Doped SnO2Thin Films on Glass Using Anatase TiO2Seed Layers

Enhanced Carrier Generation in Nb-Doped SnO$_{2}$ Thin Films Grown on Strain-Inducing Substrates

Use of local density approximation within range separated hybrid exchange-correlation functional to investigate Pb doped SnO$_2$ as an electron transport layer

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High Mobility Exceeding 80 cm²V^-1s^-1in Polycrystalline Ta-Doped SnO₂Thin Films on Glass Using Anatase TiO₂Seed Layers

High Mobility Exceeding 80 cm²V^-1s^-1in Polycrystalline Ta-Doped SnO₂Thin Films on Glass Using Anatase TiO₂Seed Layers