Ab initio modeling of dislocation core properties in metals and semiconductors

D Rodney, L Ventelon, E Clouet, L Pizzagalli… - Acta Materialia, 2017 - Elsevier
Dislocation cores, the regions in the immediate vicinity of dislocation lines, control a number
of properties such as dislocation mobility, cross-slip and short-range interactions with other …

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 …

Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

M Elstner, D Porezag, G Jungnickel, J Elsner, M Haugk… - Physical Review B, 1998 - APS
We outline details about an extension of the tight-binding (TB) approach to improve total
energies, forces, and transferability. The method is based on a second-order expansion of …

[图书][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 …

Deep traps in GaN-based structures as affecting the performance of GaN devices

AY Polyakov, IH Lee - Materials Science and Engineering: R: Reports, 2015 - Elsevier
New developments in theoretical studies of defects and impurities in III-Nitrides as pertinent
to compensation and recombination in these materials are discussed. New results on …

A self‐consistent charge density‐functional based tight‐binding method for predictive materials simulations in physics, chemistry and biology

T Frauenheim, G Seifert, M Elsterner… - … status solidi (b), 2000 - Wiley Online Library
We outline recent developments in quantum mechanical atomistic modelling of complex
materials properties that combine the efficiency of semi-empirical quantum-chemistry and …

Thermal conductivity of GaN films: Effects of impurities and dislocations

J Zou, D Kotchetkov, AA Balandin, DI Florescu… - Journal of applied …, 2002 - pubs.aip.org
We report details of the calculation of the lattice thermal conductivity κ in wurtzite GaN.
Numerical simulations are performed for n-type wurtzite GaN with different density of silicon …

Characterization of threading dislocations in GaN epitaxial layers

T Hino, S Tomiya, T Miyajima, K Yanashima… - Applied Physics …, 2000 - pubs.aip.org
We investigated Si-doped GaN epitaxial layers on a (0001)-sapphire substrate using a HCl
vapor-phase etching technique, scanning electron microscopy, atomic force microscopy …

Dislocation scattering in GaN

DC Look, JR Sizelove - Physical review letters, 1999 - APS
A theory of charged-dislocation-line scattering is developed within the framework of the
Boltzmann transport equation. A fit of the theory to temperature-dependent Hall-effect data in …

Metal organic vapour phase epitaxy of GaN and lateral overgrowth

P Gibart - Reports on Progress in Physics, 2004 - iopscience.iop.org
Gallium nitride (GaN) is an extremely promising wide band gap semiconductor material for
optoelectronics and high temperature, high power electronics. Actually, GaN is probably the …