Substitution of Er, In, and Hf in 
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: Evidence for multiple defect distributions about dopant sites

MacKeen, Cameron; Bridges, F.; Kovács, László; Castillo-Torres, J.

doi:10.1103/physrevmaterials.2.093602

Cited by 4 publications

(3 citation statements)

References 57 publications

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“…For the 0.1% Sn sample (Figure a), the amplitudes of the further neighbor peaks are quite large and the data can be well fit (solid orange line) to the hematite structure, with a small expansion for the Sn–Fe pairs compared to hematite, roughly 0.1 Å for closer pairs but only 0.02 Å for Fe neighbors near 3.7 Å. This is the expected behavior around a substitutional dopant site when the dopant valence Sn(4+) is higher that the host valence Fe(3+), and this behavior has been observed in other similar situations . The further neighbor Sn–O peaks are expected to contract very slightly, but because these small peaks overlap the larger Sn–Fe peaks, the pair distances fluctuate too much.…”

Section: Resultsmentioning

confidence: 66%

Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons

et al. 2021

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Highly effective doping in transition metal oxides is critical to fundamentally overcome low carrier conductivity due to small polaron formation and reach their ideal efficiency for energy conversion applications. However, the optimal doping concentration in polaronic oxides such as hematite has been extremely low, for example, less than a percent, which hinders the benefits of doping for practical applications. In this work, we investigate the underlying mechanism of low optimal doping concentration with group IV (Ti, Zr, and Hf) and XIV (Si, Ge, Sn, and Pb) dopants from first-principles calculations. We find that novel dopant-polaron clustering occurs even at very low dopant concentrations and resembles electric multipoles. These multipoles can be very stable at room temperature and are difficult to fully ionize compared to separate dopants, and thus they are detrimental to carrier concentration improvement. This allows us to uncover mysteries of the doping bottleneck in hematite and provide guidance for optimizing doping and carrier conductivity in polaronic oxides toward highly efficient energy conversion applications.

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Section: Resultsmentioning

confidence: 66%

Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons

et al. 2021

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“…Since the ionic radius of In +3 being 80 pm is very close to that of Cu +2 (77 pm) and Cu +1 (60–96 pm), substitution of indium in vacant sites of Cu is possible. However, as the bond length of Cu—O (1.878 Å) is smaller than that of In—O (2.15 Å), formation of In 2 O 3 instead of CuO is still less probable. In this case, indium substitution weakens the Cu—O bonds, leading to easier atomic displacement, which may have resulted in the large grains observed in CIC samples.…”

Section: Resultsmentioning

confidence: 99%

Enhancement of Nonlinear Optical and Dielectric Properties of Cu₂O Films Sandwiched with Indium Slabs

Omar

Qasrawi

2020

Physica Status Solidi (b)

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In this work, the effects of the insertion of indium slabs of thickness 100 nm on the performance of stacked layers of Cu2O are reported. Cu2O/In/Cu2O thin films coated onto ultrasonically cleaned glass substrates are structurally, morphologically, optically, and dielectrically studied. The glassy films of Cu2O display larger, well‐ordered grains in an amorphous sea of Cu2O upon insertion of indium slabs between layers of Cu2O. Optically, the indium slabs increase the light absorbability in the IR region by 12.5 times, narrow the energy bandgap, and widen the energy band tails region. They also enhance the nonlinearity in the dielectric response and increase the dielectric constant values by 2.5 times. In addition, the optical conductivity parameters are obtained from the fittings of the dielectric spectra. The analyses reveal an enhancement in the drift mobility, plasmon frequency, and free carrier density via stacking of the indium layer between layers of Cu2O. The drift mobility and plasmon frequency values reach 232.4 cm2 V−1 s−1 and 3.95 GHz at a reduced hole‐plasmon frequency value of 6.0 × 1014 Hz (2.48 eV). The values are promising as they indicate the applicability of Cu2O/In/Cu2O interfaces in optoelectronics as thin film transistors and electromagnetic wave cavities.

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“…The result verifies that the doped ions do not occupy interstitial positions in the lattice but enter the crystal lattice by replacing Li + or Nb 5+ ions. Since the radius of Er 3+ is larger than that of Li + and Nb 5+ ions, the cell size and shape will slightly change, which corresponds to the changes of the diffraction peaks in intensity.…”

Section: Resultsmentioning

confidence: 99%

The Doping Concentration Optimization of Er-Doped LiNbO₃ Crystals for LNOI Lasers and Amplifiers

Zhang,

Wu,

Zhang

et al. 2024

Crystal Growth & Design

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Photonics on a lithium-niobate-on-insulator (LNOI) has emerged as one of the most attractive fields within integrated optics. Recently, the lasers and amplifiers on LNOI have made a series of breakthroughs and important progress; however, their output efficiencies are still at a low level. In this paper, a series of erbium-doped lithium niobate (Er:LN) crystals were grown from the congruent melts with different concentrations ranging from 0.1 to 4.0 mol % by the Czochralski method. The absorption and emission intensities became stronger with the increase of erbium ion concentration and approached saturation when it is up to 2.0 mol %. Judd–Ofelt and McCumber theories were carried out to discuss the optical characteristics of erbium ions in Er:LN crystals, providing a basis for evaluating the performance of Er:LN devices. Besides, the UV absorption edges and the OH– absorption bands showed that there is a threshold around 2.0–2.65 mol % of erbium ions in Er:LN crystals, indicating a change of defect structures. It was concluded that the optimal doping concentration of erbium ions in Er:LN crystals is about 2.0 mol %, which provides significant guidance for the development of highly efficient LNOI lasers and amplifiers.

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Substitution of Er, In, and Hf in LiNbO3 : Evidence for multiple defect distributions about dopant sites

Cited by 4 publications

References 57 publications

Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons

Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons

Enhancement of Nonlinear Optical and Dielectric Properties of Cu₂O Films Sandwiched with Indium Slabs

The Doping Concentration Optimization of Er-Doped LiNbO₃ Crystals for LNOI Lasers and Amplifiers

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Substitution of Er, In, and Hf in LiNbO3 : Evidence for multiple defect distributions about dopant sites

Cited by 4 publications

References 57 publications

Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons

Doping Bottleneck in Hematite: Multipole Clustering by Small Polarons

Enhancement of Nonlinear Optical and Dielectric Properties of Cu2O Films Sandwiched with Indium Slabs

The Doping Concentration Optimization of Er-Doped LiNbO3 Crystals for LNOI Lasers and Amplifiers

Contact Info

Product

Resources

About

Enhancement of Nonlinear Optical and Dielectric Properties of Cu₂O Films Sandwiched with Indium Slabs

The Doping Concentration Optimization of Er-Doped LiNbO₃ Crystals for LNOI Lasers and Amplifiers