First-principles investigation on the structural, elastic and electronic properties and mechanism on the photocatalytic properties for SrNbO3 and Sr0.97NbO3

Xu, Ya‐Qiong; Wu, Shao-Yi; Guo, Jia-Xing; Wu, Luyi; Li, Peng

doi:10.1016/j.jpcs.2017.08.030

Cited by 10 publications

(7 citation statements)

References 57 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To accurately determine the intrinsic film lattice parameter, a ∥ and a ⊥ were found from the reciprocal space map around the asymmetric 1̅03 diffraction peaks of Sr x NbO 3 and LSAT. Assuming the calculated Poisson ratio of 0.31, an intrinsic film lattice parameter of 4.000 ± 0.005 Å was extracted for the three samples marked with the red stars in Figure b. The difference between this value and that of bulk samples , and other thin films , may be attributed to Sr vacancies due to preferential resputtering of Sr atoms caused by negative ions impinging on the growing film .…”

Section: Resultsmentioning

confidence: 99%

“…Assuming the calculated Poisson ratio of 0.31, 35 an intrinsic film lattice parameter of 4.000 ± 0.005 Å was extracted for the three samples marked with the red stars in Figure 2b. The difference between this value and that of bulk samples 24,35 and other thin films 20,30 may be attributed to Sr vacancies due to preferential resputtering of Sr atoms caused by negative ions impinging on the growing film. 36 By following Vegard's law and Sr x NbO 3 ceramic studies, 27,28 a Sr concentration of x = 0.8 was predicted for all films.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Sputtered Sr_xNbO₃ as a UV-Transparent Conducting Film

Roth

Paul

Goldner

et al. 2020

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

Expanding the application space of transparent electrodes toward the ultraviolet range has been found challenging when utilizing the conventional approach to degenerately dope semiconductors with band gaps larger than ZnO or In2O3. Here, it is shown that the correlated metal Sr x NbO3 with x < 1 is ideally suited as a UV-transparent electrode material, enabling UV light-emitting diodes for a wide range of applications from water disinfection to polymer curing. It is demonstrated that Sr x NbO3 thin films can be grown by radio frequency (RF) sputtering and that they remain in the perovskite phase despite a sizeable Sr deficiency. The electrical and optical properties are characterized and compared to those of commonly used indium tin oxide (ITO) and Sn-doped Ga2O3 transparent conductor standards. Sr x NbO3 films were found to have sheet resistances as low as 30 Ω sq–1 with optical transmission at a wavelength of 280 nm up to 86%, marking a two-order-of-magnitude increase over the performance of traditional UV-transparent conductors. The compatibility of Sr x NbO3 with a physical vapor deposition technique that is widely employed in the transparent conductor coating industry along with the robustness of the highly electrically conducting and optically transparent perovskite phase makes it an ideal transparent electrode for applications in the UV spectrum.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Sputtered Sr_xNbO₃ as a UV-Transparent Conducting Film

Roth

Paul

Goldner

et al. 2020

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

show abstract

“…The mechanisms of the visible-light absorption and photocatalysis in SrNbO 3 have been actively discussed so far. In the early stage, interband electron transition from partially occupied conduction band to unoccupied band above the conduction band (CB → B 1 ) was suggested as the origin of the visible-light absorption. , After that, alternative mechanisms, such as band gap narrowing by Sr vacancy and plasmon excitation in the conduction band, have been proposed to describe the visible-light absorption. It has been argued that the photocatalytic activity originates from high electron mobility and hot electron transfer .…”

Section: Introductionmentioning

confidence: 99%

Anion-Substitution-Induced Nonrigid Variation of Band Structure in SrNbO_3–xN_x (0 ≤ x ≤ 1) Epitaxial Thin Films

Oka

Hirose

Kaneko

et al. 2018

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

Pervoskite oxynitrides exhibit rich functionalities such as colossal magnetoresistance and high photocatalytic activity. The wide tunability of physical properties by the N/O ratio makes perovskite oxynitrides promising as optical and electrical materials. However, composition-dependent variation of the band structure, especially under partially substituted composition, is not yet well understood. In this study, we quantitatively analyzed the composition-dependent variation of band structure of a series of SrNbON (0 ≤ x ≤ 1.02) epitaxial thin films. Electrical conductivity decreased along with the increase of N content x as a result of an increase in Nb valence from 4+ to 5+. Optical measurements revealed that the N 2p band is formed at a critical composition between 0.07< x < 0.38, which induces charge-transfer transition (CTT) in the visible-light region. These variations in the band structure were explained by first-principles calculations. However, the CTT energy slightly increased at higher N contents (i.e., lower carrier density) on contrary to the expectation based on the rigid-band-like shift of the Fermi level, which suggests a complex combination of the following band-shifting effects induced by N-substitution: whereas (1) reduction of the Burstein-Moss effect causes CTT energy reduction, (2) enhancement of hybridization between Nb 4d and N 2p orbitals and/or (3) suppression of many-body effects enlarge the band gap energy at larger N content. The band structure variation in perovskite oxynitride as presently elucidated would be a guidepost for future material design.

show abstract

“…The observed c ‐axis of SNO//GSO, at this pressure, is close to the value expected due to epitaxial strain and assuming a Poisson ratio ν = 0.31. [ 3 ] In contrast the c (SNO//LSAT) value is smaller than expected, indicating that the film is partially relaxed due to their larger structural mismatch. Films grown at lower pressure display expanded c‐parameters (≈4.12 Å), as commonly observed in oxygen deficient films [ 13 ] or with cation off‐stoichiometry.…”

Section: Resultsmentioning

confidence: 88%

“…It was then proposed that the relevant absorption in the visible occurs between the CB and B 1 . [ 1,3,4 ]…”

Section: Introductionmentioning

confidence: 99%

Optical Plasmon Excitation in Transparent Conducting SrNbO₃ and SrVO₃ Thin Films

Mirjolet

Kataja

Hakala

et al. 2021

Advanced Optical Materials

View full text Add to dashboard Cite

Transparent and metallic oxides based on 3d and 4d metals are promising materials for plasmonics. Here, the growth window to obtain epitaxial SrNbO3 (4d1) thin films is determined and the role of substrates to achieve optimal electrical conductivity and the largest residual resistivity ratio is disclosed. Optical measurements on optimized films indicate a large transparency at the visible with a sharp edge at about 1.9 eV, which coincides with the zero‐crossing of the permittivity, allowing to identify the plasma frequency ωp. Similar features are observed in SrVO3 (3d1) films. Optical losses display well pronounced maxima at the corresponding ωp. Polarization‐dependent optical transmittance measurements and ellipsometric data show a dip at ωp, occurring for p‐ but not s‐polarized light, which is a fingerprint of optical bulk plasmon excitation. Remarkably, plasmon resonance is achieved here by using oblique incidence of light rather than phase‐matching arrangements, and by exploiting charge density gradients at the film surface. This observation points to new opportunities for engineering plasmons in heterostructures.

show abstract

First-principles investigation on the structural, elastic and electronic properties and mechanism on the photocatalytic properties for SrNbO3 and Sr0.97NbO3

Cited by 10 publications

References 57 publications

Sputtered Sr_xNbO₃ as a UV-Transparent Conducting Film

Sputtered Sr_xNbO₃ as a UV-Transparent Conducting Film

Anion-Substitution-Induced Nonrigid Variation of Band Structure in SrNbO_3–xN_x (0 ≤ x ≤ 1) Epitaxial Thin Films

Optical Plasmon Excitation in Transparent Conducting SrNbO₃ and SrVO₃ Thin Films

Contact Info

Product

Resources

About

First-principles investigation on the structural, elastic and electronic properties and mechanism on the photocatalytic properties for SrNbO3 and Sr0.97NbO3

Cited by 10 publications

References 57 publications

Sputtered SrxNbO3 as a UV-Transparent Conducting Film

Sputtered SrxNbO3 as a UV-Transparent Conducting Film

Anion-Substitution-Induced Nonrigid Variation of Band Structure in SrNbO3–xNx (0 ≤ x ≤ 1) Epitaxial Thin Films

Optical Plasmon Excitation in Transparent Conducting SrNbO3 and SrVO3 Thin Films

Contact Info

Product

Resources

About

Sputtered Sr_xNbO₃ as a UV-Transparent Conducting Film

Sputtered Sr_xNbO₃ as a UV-Transparent Conducting Film

Anion-Substitution-Induced Nonrigid Variation of Band Structure in SrNbO_3–xN_x (0 ≤ x ≤ 1) Epitaxial Thin Films

Optical Plasmon Excitation in Transparent Conducting SrNbO₃ and SrVO₃ Thin Films