Publications

Rinke, P.; Qteish, A.; Neugebauer, J.; Freysoldt, C.; Scheffler, M.: Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound seminconductors. New Journal of Physics 7, pp. 126 - 160 (2005)

Albrecht, M.; Lymperakis, L.; Neugebauer, J.; Northrup, J. E.; Kirste, L.; Leroux, M.; Grzegory, I.; Porowski, S.; Strunk, H. P.: Chemically ordered AlGaN alloys: Spontaneous formation of natural quantum dots. Physical Review B 71 (3), 035314 (2005)

Ireta, J.; Neugebauer, J.; Scheffler, M.; Rojo, A.; Galvan, M.: Structural transitions in the polyalanine a-Helix under uniaxial strain. Journal of the American Chemical Society 127, 49, pp. 17241 - 17244 (2005)

Ismer, L.; Ireta, J.; Boeck, S.; Neugebauer, J.: Phonon-spectra and thermodynamic properties of the infinite polyalanine alpha-helix: A DFT-based harmonic vibrational analysis. Physical Review E 71, 031911 (2005)

Northrup, J. E.; Neugebauer, J.: Metal-adlayer-stabilized ZnO(0001) sufaces: Towards a new growth mode for oxides. Applied Physics Letters 87, 141914 (2005)

Qteish, A.; Al-Sharif, A. I.; Fuchs, M.; Scheffler, M.; Boeck, S.; Neugebauer, J.: Role of semicore states in the electronic structure of group-III nitrides: An exact-exchange study. Physical Review B 72, 155317 (2005)

Qteish, A.; Al-Sharif, A. I.; Fuchs, M.; Scheffler, M.; Boeck, S.; Neugebauer, J.: Exact-exchange calculations of the electronic structure of AlN, GaN and InN. Computer Physics Communications 169, p. 28 (2005)

Smith, A. R.; Yang, R.; Yang, H. Q.; Dick, A.; Neugebauer, J.; Lambrecht, W. R. L.: Recent Advances in Atomic-Scale Spin-Polarized Scanning. Microscopy Research and Technology 66, pp. 72 - 84 (2005)

Nolting, W.; Hickel, T.; Santos, C.: Carrier Induced Ferromagnetism in Concentrated and Diluted Local-Moment Systems. In: Local moment ferromagnets: unique properties for modern applications, pp. 47 - 70. Springer, Berlin, Heidelberg, Germany (2005)

Lymperakis, L.; Neugebauer, J.: Electronic properties of non-stoichiometric dislocation cores in GaN. Materials Research Society fall meeting, Boston, MA, USA (2005)

Wahn, M.; Neugebauer, J.: The Bandgaps of GaN and InN in Zinc-blende and Wurtzite Phase: DFT Calculations Using the Exact Exchange (EXX) Functional. Workshop Forschergruppe Bremen, Bad Bederkesa, Germany (2005)

Hickel, T.; Grabowski, B.; Neugebauer, J.: Determination of Thermodynamic Quantities from Ab Initio Methods. WTL Learnshop, Aachen, Germany (2005)

Hickel, T.; Neugebauer, J.: Temperature-dependent ab initio investigation of the martensitic phase transition in magnetic SMAs. Kickoff-Workshop of SPP1239, Dresden, Germany (2005)

Neugebauer, J.: Ab initio Thermodynamics: Concepts and Application on Bulk Properties and Epitaxial Growth. UCSB-Workshop, Berlin, Germany (2005)

Neugebauer, J.: Multiscale Simulation of Crystal Growth Processes. IWCGT-3 Workshop, Beatenberg, Switzerland (2005)

Neugebauer, J.: Ab initio based multiscale modeling of dislocations in GaN. E-MRS-Fall Meeting, Warsaw, Poland (2005)

Neugebauer, J.: Surface Physics of Group III-Nitride Semicondutors. ECCOSS 23, Berlin, Germany (2005)

Lymperakis, L.; Neugebauer, J.: The role of strain fields, core structure, and native defects on the electrical activity of dislocations in GaN. The 6th International Conference on Nitride Semiconductors, Bremen (2005)

Neugebauer, J.: Ab initio Multiskalensimulationen zum Wachstum und zur Defektstruktur von Gruppe-III-Nitriden. Kolloquium, Universität Bochum (2005)

Neugebauer, J.: Ab initio Simulations of Solid State Processes. Geomat-Konferenz, Aachen, Germany (2005)