Publications of J. Neugebauer
All genres
Journal Article (314)
301.
Journal Article
89 (16), 161919 (2006)
Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory. Applied Physics Letters 302.
Journal Article
600 (2), pp. 229 - 335 (2006)
Polarity inversion of GaN (0001) surfaces induced by Si adsorption. Surface Science 303.
Journal Article
73, 20, p. 205314 (2006)
Understanding Si adsorption on GaN (0001) surfaces using first-principles calculations. Physical Review B 304.
Journal Article
36, pp. 179 - 198 (2006)
Hydrogen in Semiconductors. Annual Review of Materials Research 305.
Journal Article
243, 7, pp. 1583 - 1587 (2006)
Generalized Wannier functions: An efficient way to construct ab-initio tight-binding parameters for group-III nitrides. Physica Status Solidi B: Basic Research 306.
Journal Article
74, pp. 115409-1 - 115409-15 (2006)
Energy-dependent contrast in atomic-scale spin-polarized scanning tunneling microscopy of Mn3N2 (010): Experiment and First-Principles Theory. Physical Review B 307.
Journal Article
7, pp. 126 - 160 (2005)
Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound seminconductors. New Journal of Physics 308.
Journal Article
71 (3), 035314 (2005)
Chemically ordered AlGaN alloys: Spontaneous formation of natural quantum dots. Physical Review B 309.
Journal Article
127, 49, pp. 17241 - 17244 (2005)
Structural transitions in the polyalanine a-Helix under uniaxial strain. Journal of the American Chemical Society 310.
Journal Article
71, 031911 (2005)
Phonon-spectra and thermodynamic properties of the infinite polyalanine alpha-helix: A DFT-based harmonic vibrational analysis. Physical Review E 311.
Journal Article
87, 141914 (2005)
Metal-adlayer-stabilized ZnO(0001) sufaces: Towards a new growth mode for oxides. Applied Physics Letters 312.
Journal Article
72, 155317 (2005)
Role of semicore states in the electronic structure of group-III nitrides: An exact-exchange study. Physical Review B 313.
Journal Article
169, p. 28 (2005)
Exact-exchange calculations of the electronic structure of AlN, GaN and InN. Computer Physics Communications 314.
Journal Article
66, pp. 72 - 84 (2005)
Recent Advances in Atomic-Scale Spin-Polarized Scanning. Microscopy Research and Technology Book (2)
315.
Book
Advanced Calculations for Defects in Materials: Electronic Structure Methods. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2011), 384 pp.
316.
Book
Proceedings of the 6th International Conference of Nitride Semiconductors. Wiley-VCH - physica status solidi, Weinheim, Germany (2006), 203 pp.
Book Chapter (4)
317.
Book Chapter
Multi‐scale Modelling of a Biological Material: The Arthropod Exoskeleton. In: Materials Design Inspired by Nature: Function Through Inner Architecture (CHAPTER 9), pp. 197 - 218 (Eds. Fratzl, P.; Dunlop, J.W.C.; Weinkamer, R.) (2013)
318.
Book Chapter
Ab Initio Guided Design of Materials. In: Structural Materials and Processes in Transportation, pp. 481 - 495 (Eds. Lehmhus, D.; Busse, M.; Herrmann, A. S.; Kayvantash, K.). Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2013)
319.
Book Chapter
Hierarchical modeling of biological nanocomposites. In: Mechanics of Nanomaterials and Nanotechnology, pp. 199 - 224 (Eds. Kavardzhikov, V.; Parashkevova, L.; Baltov, A.). Institute of Mechanics - BAS, Sofia, Sofia, Bulgaria (2012)
320.
Book Chapter
Chitin in the exoskeletons of arthropoda: From ancient design to novel materials science. In: Chitin, pp. 35 - 60 (Ed. editor), N. S. G. (.). Springer, Germany (2011)