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Theoretical modeling of growth processes, extended defects, and electronic properties of III‐nitride semiconductor nanostructures
Author(s) -
Lymperakis Liverios,
AbuFarsakh Hazem,
Marquardt Oliver,
Hickel Tilmann,
Neugebauer Jörg
Publication year - 2011
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201046511
Subject(s) - ab initio , semiconductor , materials science , nanotechnology , nitride , nanowire , nanostructure , characterization (materials science) , high resolution transmission electron microscopy , field (mathematics) , condensed matter physics , engineering physics , physics , quantum mechanics , mathematics , optoelectronics , transmission electron microscopy , layer (electronics) , pure mathematics
Ab initio based simulations have been proven in the past to be and still are a valuable and indispensable tool in the field of III‐nitride semiconductors. They have been successfully used to explain, describe and guide growth and characterization experiments and to address a large variety of material problems at different length scales. In the present report we review on five selected topics which span different length scales, various method developments, and diverse material properties that have been theoretically addressed within the research group “ Physics of nitride‐based, nanostructured, light emitting devices .”Schematic representation of theoretical modeling in synergy with experiment. Left: Ab initio calculated potential energy surface for adatom diffusion on the side facets of a GaN nanowire [theory from L. Lymperakis et al., Phys. Rev. B 79 , 241308 (2009), SEM image from T. Aschenbrenner et al., Nanotechnology 20 , 075604 (2009)]. Right: Electrostatic potential in a QD calculated by Poisson solver [theory from O. Marquardt et al., J. Appl. Phys. 106 , 083707 (2009), HRTEM image from A. Pretorius et al., J. Cryst. Growth 310 , 748 (2008)].