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 …

Defect identification in semiconductors with positron annihilation:<? format?> Experiment and theory

F Tuomisto, I Makkonen - Reviews of Modern Physics, 2013 - APS
Positron annihilation spectroscopy is particularly suitable for studying vacancy-type
defects<? format?> in semiconductors. Combining state-of-the-art experimental and …

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 …

Kesterite Thin‐Film Solar Cells: Advances in Materials Modelling of Cu2ZnSnS4

A Walsh, S Chen, SH Wei… - Advanced Energy …, 2012 - Wiley Online Library
Quaternary semiconducting materials based on the kesterite (A2BCX4) mineral structure are
the most promising candidates to overtake the current generation of light‐absorbing …

Computationally predicted energies and properties of defects in GaN

JL Lyons, CG Van de Walle - NPJ Computational Materials, 2017 - nature.com
Recent developments in theoretical techniques have significantly improved the predictive
power of density-functional-based calculations. In this review, we discuss how such …

First-principles calculations for defects and impurities: Applications to III-nitrides

CG Van de Walle, J Neugebauer - Journal of applied physics, 2004 - pubs.aip.org
First-principles calculations have evolved from mere aids in explaining and supporting
experiments to powerful tools for predicting new materials and their properties. In the first …

Luminescence properties of defects in GaN

MA Reshchikov, H Morkoç - Journal of applied physics, 2005 - pubs.aip.org
Gallium nitride (GaN) and its allied binaries InN and AIN as well as their ternary compounds
have gained an unprecedented attention due to their wide-ranging applications …

The roles of structural imperfections in InGaN-based blue light-emitting diodes and laser diodes

S Nakamura - Science, 1998 - science.org
REVIEW High-efficiency light-emitting diodes emitting amber, green, blue, and ultraviolet
light have been obtained through the use of an InGaN active layer instead of a GaN active …

[КНИГА][B] Handbook of nitride semiconductors and devices, Materials Properties, Physics and Growth

H Morkoį - 2009 - books.google.com
The three volumes of this handbook treat the fundamentals, technology and nanotechnology
of nitride semiconductors with an extraordinary clarity and depth. They present all the …

Gallium vacancies and the yellow luminescence in GaN

J Neugebauer, CG Van de Walle - Applied Physics Letters, 1996 - pubs.aip.org
We have investigated native defects and native defect‐impurity complexes as candidate
sources for the yellow luminescence in GaN. Using state‐of‐the‐art first‐principles …