Publications

Publications

Journal Article (8)

  1. 1.
    Journal Article
    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)
  2. 2.
    Journal Article
    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)
  3. 3.
    Journal Article
    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)
  4. 4.
    Journal Article
    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)
  5. 5.
    Journal Article
    Northrup, J. E.; Neugebauer, J.: Metal-adlayer-stabilized ZnO(0001) sufaces: Towards a new growth mode for oxides. Applied Physics Letters 87, 141914 (2005)
  6. 6.
    Journal Article
    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)
  7. 7.
    Journal Article
    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)
  8. 8.
    Journal Article
    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)

Book Chapter (1)

  1. 9.
    Book Chapter
    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)

Talk (17)

  1. 10.
    Talk
    Lymperakis, L.; Neugebauer, J.: Electronic properties of non-stoichiometric dislocation cores in GaN. Materials Research Society fall meeting, Boston, MA, USA (2005)
  2. 11.
    Talk
    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)
  3. 12.
    Talk
    Hickel, T.; Grabowski, B.; Neugebauer, J.: Determination of Thermodynamic Quantities from Ab Initio Methods. WTL Learnshop, Aachen, Germany (2005)
  4. 13.
    Talk
    Hickel, T.; Neugebauer, J.: Temperature-dependent ab initio investigation of the martensitic phase transition in magnetic SMAs. Kickoff-Workshop of SPP1239, Dresden, Germany (2005)
  5. 14.
    Talk
    Neugebauer, J.: Ab initio Thermodynamics: Concepts and Application on Bulk Properties and Epitaxial Growth. UCSB-Workshop, Berlin, Germany (2005)
  6. 15.
    Talk
    Neugebauer, J.: Multiscale Simulation of Crystal Growth Processes. IWCGT-3 Workshop, Beatenberg, Switzerland (2005)
  7. 16.
    Talk
    Neugebauer, J.: Ab initio based multiscale modeling of dislocations in GaN. E-MRS-Fall Meeting, Warsaw, Poland (2005)
  8. 17.
    Talk
    Neugebauer, J.: Surface Physics of Group III-Nitride Semicondutors. ECCOSS 23, Berlin, Germany (2005)
  9. 18.
    Talk
    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)
  10. 19.
    Talk
    Neugebauer, J.: Ab initio Multiskalensimulationen zum Wachstum und zur Defektstruktur von Gruppe-III-Nitriden. Kolloquium, Universität Bochum (2005)
  11. 20.
    Talk
    Neugebauer, J.: Ab initio Simulations of Solid State Processes. Geomat-Konferenz, Aachen, Germany (2005)
 
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