A review of band structure and material properties of transparent conducting and semiconducting oxides: Ga2O3, Al2O3, In2O3, ZnO, SnO2, CdO, NiO, CuO, and …

JA Spencer, AL Mock, AG Jacobs, M Schubert… - Applied Physics …, 2022 - pubs.aip.org
This Review highlights basic and transition metal conducting and semiconducting oxides.
We discuss their material and electronic properties with an emphasis on the crystal …

Advances in ZnO: Manipulation of defects for enhancing their technological potentials

I Ayoub, V Kumar, R Abolhassani, R Sehgal… - Nanotechnology …, 2022 - degruyter.com
This review attempts to compile the physics and chemistry of defects in zinc oxide (ZnO), at
both, the fundamental and application levels. The defects, either inherent ones or introduced …

Identifying the ground state structures of point defects in solids

I Mosquera-Lois, SR Kavanagh, A Walsh… - npj Computational …, 2023 - nature.com
Point defects are a universal feature of crystals. Their identification is addressed by
combining experimental measurements with theoretical models. The standard modelling …

First-principles calculations for point defects in solids

C Freysoldt, B Grabowski, T Hickel, J Neugebauer… - Reviews of modern …, 2014 - APS
Point defects and impurities strongly affect the physical properties of materials and have a
decisive impact on their performance in applications. First-principles calculations have …

Fundamentals of zinc oxide as a semiconductor

A Janotti, CG Van de Walle - Reports on progress in physics, 2009 - iopscience.iop.org
In the past ten years we have witnessed a revival of, and subsequent rapid expansion in, the
research on zinc oxide (ZnO) as a semiconductor. Being initially considered as a substrate …

Native point defects in ZnO

A Janotti, CG Van de Walle - Physical Review B—Condensed Matter and …, 2007 - APS
We have performed a comprehensive first-principles investigation of native point defects in
ZnO based on density functional theory within the local density approximation (LDA) as well …

Defects in zno

MD McCluskey, SJ Jokela - Journal of Applied Physics, 2009 - pubs.aip.org
Zinc oxide (ZnO) is a wide band gap semiconductor with potential applications in
optoelectronics, transparent electronics, and spintronics. The high efficiency of UV emission …

[HTML][HTML] DFT+ U calculations for electronic, structural, and optical properties of ZnO wurtzite structure: A review

K Harun, NA Salleh, B Deghfel, MK Yaakob… - Results in Physics, 2020 - Elsevier
This review aims to briefly outline the Hubbard-U scheme and to investigate the effect of its
inclusion in standard Density Functional Theory on electronic, structural, and optical …

Point defects in ZnO: an approach from first principles

F Oba, M Choi, A Togo, I Tanaka - Science and Technology of …, 2011 - iopscience.iop.org
Recent first-principles studies of point defects in ZnO are reviewed with a focus on native
defects. Key properties of defects, such as formation energies, donor and acceptor levels …

Luminescence and photocatalytic activity of ZnO nanocrystals: correlation between structure and property

Y Zheng, C Chen, Y Zhan, X Lin, Q Zheng… - Inorganic …, 2007 - ACS Publications
Low-dimensional ZnO nanocrystals with controlled size, aspect ratio, and oxygen defects
(eg, type and concentration) are successfully prepared through simple solvothermal and …