Effect of quantum confinement of surface electrons on an atomic motion on nanoislands (2008)
Smirnov, A. S., Negulyaev, N. N., Niebergall, L., Hergert, W., Saletsky, A. M., Stepanyuk, V. S.
Ab initio calculations and kinetic Monte Carlo simulations demonstrate that the quantum confinement of surface electrons to nanoislands can significantly affect the growth process at low...
Hughes, I. D., Daene, M., Ernst, A., Hergert, W., Lueders, M., Staunton, J. B., ...
We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-interaction corrected...
Lanthanide contraction and magnetism in the heavy rare earth elements (2007)
Hughes, ID, Däne, M, Ernst, A, Hergert, W, Lüders, M, Poulter, J, ...
Lanthanide contraction and magnetism in the heavy rare earth elements. (2007)
Hughes, I. D., Däne, M., Ernst, A., Hergert, W., Lüders, M., Poulter, J., ...
Electronic confinement in stepped Cu(111) surfaces: Ab initio study. (2007)
Ignatiev, P. A., Stepanyuk, V. S., Klavsyuk, A. L., Hergert, W., Bruno, P.
Structure and magnetic properties of Co chains on a stepped Cu surface (2007)
Pick, S., Ignatiev, P. A., Klavsyuk, A. L., Hergert, W., Stepanyuk, V. S., Bruno, P.
Self organization of Ce adatoms on Ag(111): A kinetic Monte Carlo study (2006)
Negulyaev, N. N., Stepanyuk, V. S., Niebergall, L., Hergert, W., Fangohr, H., Bruno, P.
Effect of the long-range adsorbate interactions on the atomic self-assembly on metal surfaces (2006)
Negulyaev, N. N., Stepanyuk, V. S., Hergert, W., Fangohr, H., Bruno, P.
Atomic relaxations and magnetic states in a single-atom tunneling junction (2006)
Huang, R. Z., Stepanyuk, V. S., Klavsyuk, A. L., Hergert, W., Bruno, P., Kirschner, J.
Long-range electronic interactions between adatoms on transition metal surfaces (2006)
Stepanyuk, V. S., Niebergall, L., Baranov, A. N., Hergert, W., Bruno, P.
Ab initio study of mirages and magnetic interactions in quantum corrals (2005)
Stepanyuk, V. S., Niebergall, L., Hergert, W., Bruno, P.
The state of the art ab initio calculations of quantum mirages,the spin-polarization of surface-state electrons and the exchange interaction between magnetic adatoms in Cu and Co corrals on Cu(111)...
Ab initio approach for atomic relaxation in supported magnetic clusters (2005)
Stepanyuk, V.S., Klavsyuk, A.L., Niebergall, L., Saletsky, A.M., Hergert, W., Bruno, P.
Self-interaction correction in multiple scattering theory (2005)
Lüders, M., Ernst, A., Däne, M., Szotek, Z., Svane, A., Ködderitzsch, D., ...
Self-interaction correction in multiple scattering theory (2005)
Lüders, M, Ernst, A, Däne, M, Szotek, Z, Svane, A, Ködderitzsch, D, ...
Self-interaction correction in multiple scattering theory (2004)
Lüders, M., Ernst, A., Däne, M., Szotek, Z., Svane, A., Ködderitzsch, D., ...
We propose a simplified version of self-interaction corrected local spin-density (SIC-LSD) approximation, based on multiple scattering theory, which implements self-interaction correction locally,...
Ab initio approach for atomic relaxations in supported magnetic clusters (2004)
Stepanyuk, V. S., Klavsyuk, A. L., Niebergall, L., Saletsky, A. M., Hergert, W., Bruno, P.
We present a newly developed scheme for atomic relaxations of magnetic supported clusters. Our approach is based on the full potential Korringa-Kohn-Rostoker Green's function method and the second...
Long-range electronic interactions between adatoms on transition metal surfaces (2004)
Stepanyuk, V. S., Niebergall, L., Baranov, A. N., Hergert, W., Bruno, P.
Ab initio calculations of surface-state mediated interactions between Cu adatoms on transition metal surfaces are presented. We concentrate on Co/Cu(111) and Co(0001) substrates and compare results...
Structure and quantum effects in atomic-sized contacts (2004)
Stepanyuk, V.S., Bruno, P., Klavsyuk, A.L., Baranov, A.N., Hergert, W., Saletsky, A.M., ...
Magnetic nanostructures stabilized by surface-state electrons (2004)
Stepanyuk, V.S., Niebergall, L., Longo, R.C., Hergert, W., Bruno, P.
Magnetism and structure of atomic-size nanocontacts (2004)
Stepanyuk, V.S., Klavsyuk, A.L., Hergert, W., Saletsky, A.M., Bruno, P., Mertig, I.
Magnetism and structure on the atomic scale: Small cobalt clusters in Cu(001) (2004)
Pick, S., Stepanyuk, V.S., Klavsyuk, A.L., Niebergall, L., Hergert, W., Kirschner, J., ...
Interface intermixing in metal heteroepitaxy on the atomic scale (2004)
Longo, R.C., Stepanyuk, V.S., Hergert, W., Vega, A., Gallego, L.J., Kirschner, J.
Structure and electronic states in Cu nanocontacts (2004)
Klavsyuk, A.L., Stepanyuk, V.S., Hergert, W., Saletsky, A.M., Bruno, P., Mertig, I.
Electronic structure of half-metallic ferromagnets and spinel ferromagnetic insulators (2004)
Szotek, Z, Temmerman, W M, Svane, A, Petit, L, Strange, P, Stocks, GM, ...
Resonant inelastic x-ray scattering (RIXS) spectra of magnesium diboride (2003)
Kokko, K., Kulmala, V., Leiro, J. A., Hergert, W.
Using the tight-binding linear muffin-tin orbitals method, the soft x-ray fluorescence K-emission spectra of boron in MgB_2, excited close to the absorption edge, are estimated. In the calculations...
Prediction of a new class of half-metallic antiferromagnets (2003)
Kodderitzsch, D., Hergert, W., Szotek, Z., Temmerman, W. M.
We report on vacancy induced half-metallicity in the prototype Mott-insulating substances MnO and NiO. By embedding a cation-vacancy into a magnetic system a new road opens up to the construction of...
Quantum interference and long-range adsorbate-adsorbate interaction (2003)
Stepanyuk, V. S., Baranov, A. N., Tsivilin, D., Hergert, W., Bruno, P., Knorr, N., ...
Mesoscopic scenario of strain-relief at metal interfaces (2003)
Stepanyuk, V.S., Tsivlin, D., Sander, D., Hergert, W., Kirschner, J.
Quantum interference and long-range adsorbate-adsorbate interactions (2003)
Stepanyuk, V.S., Baranov, A.N., Tsivlin, D., Hergert, W., Bruno, P., Knorr, N., ...
Computation of optical properties of Si-based photonic crystals with varying pore diameters (2003)
Hillebrand, R., Jamois, C., Schilling, J., Wehrspohn, R.B., Hergert, W.
Effect of atomic relaxations on magnetic properties of adatoms and small clusters (2003)
Pick, S., Stepanyuk, V.S., Baranov, A.N., Hergert, W., Bruno, P.
SIC-LSD description of half-metallic transition metal oxides (2003)
Szotek, Z, Temmerman, WM, Ködderitzsch, D, Hergert, W, Svane, A, Petit, L, ...
Full-potential KKR calculations for MgO and divalent impurities in MgO (2002)
Baranov, A. N., Stepanyuk, V. S., Hergert, W., Katsnelson, A. A., Settels, A., Zeller, R., ...
Computation of the electromagnetic properties of Si-based photonic crystals (2002)
Hillebrand, R., Jamois, C., Schilling, J., Wehrspohn, R. B., Hergert, W.
Silicon-based photonic crystal slabs: two concepts (2002)
Jamois, C., Wehrspohn, R. B., Schilling, J., Müller, F., Hillebrand, R., Hergert, W.
Exchange interactions in NiO and at the NiO(100) surface (2002)
Ködderitzsch, D., Hergert, W., Temmermann, W. M., Szotek, Z., Ernst, A., Winter, H.
Mesoscopic relaxation in homoepitaxial metal growth (2002)
Lysenko, O. V., Stepanyuk, V. S., Hergert, W., Kirschner, J.
Full-potential KKR-calculations for MgO and divalent impurities in MgO (2002)
Baranov, A. N., Stepanyuk, V. S., Hergert, W., Katsnelson, A. A., Settels, A., Zeller, R., ...
This version is available at the following Publisher URL: http://prb.aps.org
Exchange interactions in NiO and at the NiO(100) surface (2002)
Ködderitzsch, D, Hergert, W, Temmerman, W M, Szotek, Z, Ernst, A, Winter, H
Energetics of Co adatoms on the Cu(001) surface (2000)
Levanov, N. A., Stepanyuk, V. S., Hergert, W., Bazhanov, D. I., Dederichs, P. H., Katsnelson, A., ...
This version is available at the following URL: http://prb.aps.org/
Magnetic nanostructures on the fcc Fe/Cu(100) surfaces (2000)
Stepanyuk, V. S., Hergert, W., Rennert, P., Nonas, B., Zeller, R., Dederichs, P. H.
This version is available at the following URL: http://prb.aps.org/
Hergert, W., Pasemann, L., Hildebrandt, S.
For the calculation of the contrast of a defect in semiconducting material, the defect is regarded as a bounded region where the minority carrier lifetime τ' is lower than that (τ) outside...
RECENT RESULTS IN THE THEORETICAL DESCRIPTION OF CL AND EBIC DEFECT CONTRASTS (1991)
Hildebrandt, S., Schreiber, J., Hergert, W.
The theoretical description used for the analysis of beam-voltage dependent CL and EBIC contrasts from a surface-parallel dislocation is summarized. The importance of the use of a realistic carrier...
Hergert, W., Pasemann, L., Hildebrandt, S.
For the calculation of the contrast of a defect in semiconducting material, the defect is regarded as a bounded region where the minority carrier lifetime τ' is lower than that (τ) outside...
RECENT RESULTS IN THE THEORETICAL DESCRIPTION OF CL AND EBIC DEFECT CONTRASTS (1991)
Hildebrandt, S., Schreiber, J., Hergert, W.
The theoretical description used for the analysis of beam-voltage dependent CL and EBIC contrasts from a surface-parallel dislocation is summarized. The importance of the use of a realistic carrier...
Hergert, W., Pasemann, L., Hildebrandt, S.
For the calculation of the contrast of a defect in semiconducting material, the defect is regarded as a bounded region where the minority carrier lifetime τ' is lower than that (τ) outside...
RECENT RESULTS IN THE THEORETICAL DESCRIPTION OF CL AND EBIC DEFECT CONTRASTS (1991)
Hildebrandt, S., Schreiber, J., Hergert, W.
The theoretical description used for the analysis of beam-voltage dependent CL and EBIC contrasts from a surface-parallel dislocation is summarized. The importance of the use of a realistic carrier...