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Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends. Physical Review B 402.
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Nitrogen adsorption and thin surface nitrides on Cu(111) from first-principles. Surface Science 403.
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73 (20), S. 205346-1 - 205346-13 (2006)
First-principles calculations of the structural and electronic properties of clean GaN (0001) surfaces. Physical Review B 404.
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378-80, S. 706 - 707 (2006)
A self-consistent projection-operator approach to the Kondo-lattice model. Physica B-Condensed Matter 405.
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96, S. 046801-1 - 046801-4 (2006)
Bulk Electronic Structure of Metals Resolved with Scanning Tunneling Microscopy. Physical Review Letters 406.
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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 407.
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600 (2), S. 229 - 335 (2006)
Polarity inversion of GaN (0001) surfaces induced by Si adsorption. Surface Science 408.
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73, 20, S. 205314 (2006)
Understanding Si adsorption on GaN (0001) surfaces using first-principles calculations. Physical Review B 409.
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36, S. 179 - 198 (2006)
Hydrogen in Semiconductors. Annual Review of Materials Research 410.
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243, 7, S. 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 411.
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74, S. 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 412.
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7, S. 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 413.
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71 (3), 035314 (2005)
Chemically ordered AlGaN alloys: Spontaneous formation of natural quantum dots. Physical Review B 414.
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127, 49, S. 17241 - 17244 (2005)
Structural transitions in the polyalanine a-Helix under uniaxial strain. Journal of the American Chemical Society 415.
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Phonon-spectra and thermodynamic properties of the infinite polyalanine alpha-helix: A DFT-based harmonic vibrational analysis. Physical Review E 416.
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Metal-adlayer-stabilized ZnO(0001) sufaces: Towards a new growth mode for oxides. Applied Physics Letters 417.
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Role of semicore states in the electronic structure of group-III nitrides: An exact-exchange study. Physical Review B 418.
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Exact-exchange calculations of the electronic structure of AlN, GaN and InN. Computer Physics Communications 419.
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Advanced Calculations for Defects in Materials: Electronic Structure Methods. WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2011), 384 S.