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Journal Article (278)

261.
Journal Article
Raabe, D.; Sander, B.; Friák, M.; Ma, D.; Neugebauer, J.: Theory-guided bottom-up design of β-titanium alloys as biomaterials based on first principles calculations: Theory and experiments. Acta Materialia 55 (13), pp. 4475 - 4487 (2007)
262.
Journal Article
Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends. Physical Review B 76 (2), 024309 (2007)
263.
Journal Article
Rosa, A. L.; Neugebauer, J.: First-principles calculations of the structural and electronic properties of clean GaN (0001) surfaces. Physical Review B 73 (20), pp. 205346-1 - 205346-13 (2006)
264.
Journal Article
Pascual, J. I.; Dick, A.; Hansmann, M.; Rust, H.-P.; Neugebauer, J.; Horn, K.: Bulk Electronic Structure of Metals Resolved with Scanning Tunneling Microscopy. Physical Review Letters 96, pp. 046801-1 - 046801-4 (2006)
265.
Journal Article
Rinke, P.; Qteish, A.; Winkelnkemper, M.; Bimberg, D.; Neugebauer, J.; Scheffler, M.: Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory. Applied Physics Letters 89 (16), 161919 (2006)
266.
Journal Article
Rosa, A. L.; Neugebauer, J.: Polarity inversion of GaN (0001) surfaces induced by Si adsorption. Surface Science 600 (2), pp. 229 - 335 (2006)
267.
Journal Article
Rosa, A. L.; Neugebauer, J.: Understanding Si adsorption on GaN (0001) surfaces using first-principles calculations. Physical Review B 73, 20, p. 205314 (2006)
268.
Journal Article
Van de Walle, C. G.; Neugebauer, J.: Hydrogen in Semiconductors. Annual Review of Materials Research 36, pp. 179 - 198 (2006)
269.
Journal Article
Wahn, M.; Neugebauer, J.: Generalized Wannier functions: An efficient way to construct ab-initio tight-binding parameters for group-III nitrides. Physica Status Solidi B: Basic Research 243, 7, pp. 1583 - 1587 (2006)
270.
Journal Article
Yang, R.; Yang, H.; Smith, A. R.; Dick, A.; Neugebauer, J.: Energy-dependent contrast in atomic-scale spin-polarized scanning tunneling microscopy of Mn3N2 (010): Experiment and First-Principles Theory. Physical Review B 74, pp. 115409-1 - 115409-15 (2006)
271.
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)
272.
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)
273.
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)
274.
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)
275.
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)
276.
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)
277.
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)
278.
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 (2)

279.
Book
Alkauskas, A.; Deak, P.; Neugebauer, J.; Pasquarello, A.; van de Walle, C. G. (Eds.): Advanced Calculations for Defects in Materials: Electronic Structure Methods. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2011), 384 pp.
280.
Book
Hildebrandt, S.; Lymperakis, L.; Neugebauer, J.; Stutzmann, M. (Eds.): Proceedings of the 6th International Conference of Nitride Semiconductors. Wiley-VCH - physica status solidi, Weinheim, Germany (2006), 203 pp.
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