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

ACS Applied Materials & Interfaces
Daichi OkaTetsuya Hasegawa

Abstract

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 SrNbO3- xN x (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:...Continue Reading

References

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May 9, 2000·Nature·M Jansen, H P Letschert
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May 1, 2012·Nature Materials·Xiaoxiang XuJohn T S Irvine
Nov 21, 2014·Scientific Reports·Peng-Ru HuangZheng-Hong Lu
Mar 30, 2017·ACS Nano·Daichi OkaTetsuya Hasegawa

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Citations

Jul 20, 2019·Nanoscale·Tochukwu OfoegbunaJames A Dorman
Jun 17, 2021·ACS Applied Materials & Interfaces·Tochukwu OfoegbunaJames A Dorman
Jun 29, 2021·Physical Chemistry Chemical Physics : PCCP·J S Gelves-BadilloA C Garcia-Castro

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