Publications

Journal Article (8)

1. 1.
   MPG.Pure

   DOI
   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.
   MPG.Pure

   DOI
   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.
   MPG.Pure
   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.
   MPG.Pure
   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.
   MPG.Pure
   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.
   MPG.Pure
   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.
   MPG.Pure
   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.
   MPG.Pure
   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.
   MPG.Pure
   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.
   MPG.Pure
   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.
   MPG.Pure
   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.
   MPG.Pure
   Talk

   Hickel, T.; Grabowski, B.; Neugebauer, J.: Determination of Thermodynamic Quantities from Ab Initio Methods. WTL Learnshop, Aachen, Germany (2005)
4. 13.
   MPG.Pure
   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.
   MPG.Pure
   Talk

   Neugebauer, J.: Ab initio Thermodynamics: Concepts and Application on Bulk Properties and Epitaxial Growth. UCSB-Workshop, Berlin, Germany (2005)
6. 15.
   MPG.Pure
   Talk

   Neugebauer, J.: Multiscale Simulation of Crystal Growth Processes. IWCGT-3 Workshop, Beatenberg, Switzerland (2005)
7. 16.
   MPG.Pure
   Talk

   Neugebauer, J.: Ab initio based multiscale modeling of dislocations in GaN. E-MRS-Fall Meeting, Warsaw, Poland (2005)
8. 17.
   MPG.Pure
   Talk

   Neugebauer, J.: Surface Physics of Group III-Nitride Semicondutors. ECCOSS 23, Berlin, Germany (2005)
9. 18.
   MPG.Pure
   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.
    MPG.Pure
    Talk

    Neugebauer, J.: Ab initio Multiskalensimulationen zum Wachstum und zur Defektstruktur von Gruppe-III-Nitriden. Kolloquium, Universität Bochum (2005)
11. 20.
    MPG.Pure
    Talk

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