M
M. Haugk
Researcher at Chemnitz University of Technology
Publications - 28
Citations - 4191
M. Haugk is an academic researcher from Chemnitz University of Technology. The author has contributed to research in topics: Vacancy defect & Dislocation. The author has an hindex of 15, co-authored 28 publications receiving 3788 citations. Previous affiliations of M. Haugk include University of Paderborn.
Papers
More filters
Journal ArticleDOI
Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties
Marcus Elstner,Marcus Elstner,D. Porezag,G. Jungnickel,J. Elsner,M. Haugk,Th. Frauenheim,Sándor Suhai,Gotthard Seifert +8 more
TL;DR: In this paper, an extension of the tight-binding (TB) approach to improve total energies, forces, and transferability is presented. The method is based on a second-order expansion of the Kohn-Sham total energy in density-functional theory (DFT) with respect to charge density fluctuations.
Journal ArticleDOI
Deep acceptors trapped at threading-edge dislocations in gan
J. Elsner,J. Elsner,R. Jones,Malcolm I. Heggie,P. K. Sitch,M. Haugk,Th. Frauenheim,Sven Öberg,Patrick R. Briddon +8 more
TL;DR: In this paper, local density functional methods are used to examine the behavior of the oxygen defect, gallium vacancy, and related defect complexes trapped at threading-edge dislocations in GaN.
Journal ArticleDOI
Effect of oxygen on the growth of (101̄0) GaN surfaces: The formation of nanopipes
J. Elsner,R. Jones,M. Haugk,Rafael Gutierrez,Th. Frauenheim,M.I. Heggie,Sven Öberg,Patrick R. Briddon +7 more
TL;DR: In this paper, local density functional methods are used to examine the behavior of O and O-related defect complexes on the walls of nanopipes in GaN and find that O has a tendency to segregate to the (1010) surface and identify the gallium vacancy surrounded by three oxygen impurities [VGa(ON)3] to be a particularly stable and electrically inert complex.
Journal ArticleDOI
Stability of large vacancy clusters in silicon
TL;DR: In this paper, the stability of various vacancy clusters up to a size of 17 vacancies was investigated using a density-functional-based tight-binding method, and the positron lifetimes for the most stable structures were compared to experimental data.
Journal ArticleDOI
Structures, Energetics and Electronic Properties of Complex III—V Semiconductor Systems
M. Haugk,J. Elsner,Th. Frauenheim,Torsten E.M. Staab,Christopher D. Latham,R. Jones,Hartmut S. Leipner,Thomas Heine,Gotthard Seifert,M. Sternberg +9 more
TL;DR: A parallel implementation of the selfconsistent charge density-functional based tight binding (SCC-DFTB) method is used to examine large scale structures in III-V semiconductors.