Publications

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)

Hickel, T.; Nolting, W.: A self-consistent projection-operator approach to the Kondo-lattice model. Physica B-Condensed Matter 378-80, pp. 706 - 707 (2006)

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)

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)

Rosa, A. L.; Neugebauer, J.: Polarity inversion of GaN (0001) surfaces induced by Si adsorption. Surface Science 600 (2), pp. 229 - 335 (2006)

Rosa, A. L.; Neugebauer, J.: Understanding Si adsorption on GaN (0001) surfaces using first-principles calculations. Physical Review B 73, 20, p. 205314 (2006)

Van de Walle, C. G.; Neugebauer, J.: Hydrogen in Semiconductors. Annual Review of Materials Research 36, pp. 179 - 198 (2006)

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)

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)

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.

Friák, M.; Neugebauer, J.: Anomalous equilibrium volume change of magnetic Fe–Al crystals. Materials Research Society fall meeting, Boston, MA, USA (2006)

Raabe, D.; Sander, B.; Friák, M.; Neugebauer, J.: Bottom up design of novel Titanium-based biomaterials through the combination of ab-initio simulations and experimental methods. Materials Research Society fall meeting, Boston, MA, USA (2006)

Neugebauer, J.: Ab initio modellation of crystal growth. Polkom-Workshop, Dresden, Germany (2006)

Abu-Farsakh, H.; Neugebauer, J.: Tailoring the N-solubility in InGaAs-alloys by surface engineering: Applications and limits. 1. Harzer Ab initio Workshop, Clausthal, Germany (2006)

Friák, M.; Neugebauer, J.: Ab initio study of human-bone-matched titanium alloys. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld, Germany (2006)

Grabowski, B.: PAW calculations of thermodynamic properties of metals: xc-related error bars and chemical trends. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld, Germany (2006)

Hickel, T.: Temperature dependent properties of magnetic shape memory alloys. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld (2006)

Ismer, L.; Ireta, J.; Neugebauer, J.: Vibrational modes and thermodynamic properties of the secondary structure of proteins. 1. Harzer Ab initio Workshop, Clausthal (2006)

Neugebauer, J.; Wahn, M.: Exact exchange within Kohn-Sham formalism. Standard and variational approach. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld (2006)

Petrov, M.: Theoretical elastic constants of α-chitin. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld (2006)