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8 papers · 2 filters
Momentum selectivity and anisotropy effects in the nitrogen K-edge resonant inelastic X-ray scattering from GaN
V. N. Strocov, T. Schmitt, J. -E. Rubensson +3
High-resolution soft X-ray emission and absorption spectra near the N K-edge of wurtzite GaN are presented. The experimental data are interpreted in terms of band structure based f…
Ab initio study of canted magnetism of finite atomic chains at surfaces
B. Lazarovits, B. Ujfalussy, L. Szunyogh +2
By using ab initio methods on different levels we study the magnetic ground state of (finite) atomic wires deposited on metallic surfaces. A phenomenological model based on symmetr…
The chemistry of La on the Si(001) surface
Christopher R. Ashman, Clemens J. Foerst, Karlheinz Schwarz +1
This paper reports state-of-the-art electronic structure calculations of La adsorption on the Si(001) surface. We predict La chains in the low coverage limit, which condense in a s…
Band structure effects in nitrogen K-edge resonant inelastic X ray scattering from GaN
V. N. Strocov, T. Schmitt, J. -E. Rubensson +3
Systematic experimental data on resonant inelastic X-ray scattering (RIXS) in GaN near the N K-edge are presented for the first time. Excitation energy dependence of the spectral s…
Ab-initio spin dynamics applied to nanoparticles: canted magnetism of a finite Co chain along a Pt(111) surface step edge
B. Ujfalussy, B. Lazarovits, L. Szunyogh +2
In order to search for the magnetic ground state of surface nanostructures we extended first principles adiabatic spin dynamics to the case of fully relativistic electron scatterin…
Ab-initio study of the electric transport in gold nanocontacts
K. Palotas, B. Lazarovits, L. Szunyogh +1
By employing a real-space formulation of the Kubo-Greenwood equation based on a Green's function embedding technique combined with the fully relativistic spin-polarized Korringa-Ko…