214 citations · 877 across the 48 of their papers we have counts for
11 papers · 1 filter
Simulation of spin-polarized scanning tunneling spectroscopy on complex magnetic surfaces: Case of a Cr monolayer on Ag(111)
Krisztián Palotás, Werner A. Hofer, László Szunyogh
We propose a computationally efficient atom-superposition-based method for simulating spin-polarized scanning tunneling spectroscopy (SP-STS) on complex magnetic surfaces based on…
Simulation of spin-polarized scanning tunneling microscopy on complex magnetic surfaces: Case of a Cr monolayer on Ag(111)
Krisztián Palotás, Werner A. Hofer, László Szunyogh
We propose an atom-superposition-based method for simulating spin-polarized scanning tunneling microscopy (SP-STM) from first principles. Our approach provides bias dependent STM i…
Hydroxyl vacancies in single-walled aluminosilicate and aluminogermanate nanotubes
G. Teobaldi, N. S. Beglitis, A. J. Fisher +2
We report the first theoretical study of hydroxyl vacancies in aluminosilicate and aluminogermanate single-walled metal-oxide nanotubes. The defects are modeled on both sides of th…
Creating pseudo Kondo-resonances by field-induced diffusion of atomic hydrogen
Werner A Hofer, Gilberto Teobaldi, Nicolas Lorente
In low temperature scanning tunneling microscopy (STM) experiments a cerium adatom on Ag(100) possesses two discrete states with significantly different apparent heights. These ato…
An orbital-free density functional method based on inertial fields
K. Palotas, W. A. Hofer
In this paper we revisit the Levy-Perdew-Sahni equation. We establish that the relation implicitly contains the conservation of energy density at every point of the system. The sep…
Electron scattering in atomic force microscopy experiments
Linda Zotti, Werner A. Hofer, Franz J. Giessibl
It has been shown that electron transitions, as measured in a scanning tunnelling microscope (STM), are related to chemical interactions in a tunnelling barrier. Here, we show that…
Non-linear density functional theory: A direct method to calculate many-electron charge densities
Werner A. Hofer, Krisztian Palotas
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals.…
Multiple Scattering in a Vacuum Barrier from Real-Space Wavefunctions
Werner A Hofer
We have developed a method to simulate multiple electron scattering in a vacuum barrier using real-space single-electron wavefunctions of the separate surfaces. The tunnelling curr…
Determining surface magnetization and local magnetic moments with atomic scale resolution
W. A. Hofer, A. J. Fisher
We propose a method to determine the direction of surface magnetization and local magnetic moments on the atomic scale. The method comprises high resolution scanning tunneling micr…
Tip effects in scanning tunnelling microscopy of atomic-scale magnetic structures
W. A. Hofer, A. J. Fisher
The spin-polarized scanning tunnelling microscope (STM) can in principle resolve not only the electronic, but also the magnetic surface structure. We model recent STM measurements…
Surface Relaxations, Current Enhancements, and Absolute Distances in High Resolution Scanning Tunneling Microscopy
W. A. Hofer, A. J. Fisher, R. A. Wolkow +1
We have performed the most realistic simulation to date of the operation of a scanning tunneling microscope. Probe-sample distances from beyond tunneling to actual surface contact…