81 citations · 191 across the 9 of their papers we have counts for
9 papers · 1 filter
Ab-initio calculation of the real contact area on the atomic scale
Michael Wolloch, Gregor Feldbauer, Peter Mohn +2
We present a novel approach to determine the onset of contact between a tip and a surface. The real contact area depending on the distance is calculated using Bader's quantum theor…
Adhesion and material transfer between contacting Al and TiN surfaces from first principles
Gregor Feldbauer, Michael Wolloch, Pedro O. Bedolla +3
A series of density functional theory (DFT) simulations was performed to investigate the approach, contact, and subsequent separation of two atomically flat surfaces consisting of…
Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces
Pedro O. Bedolla, Gregor Feldbauer, Michael Wolloch +5
Van der Waals (vdW) forces play a fundamental role in the structure and behavior of diverse systems. Thanks to development of functionals that include non-local correlation, it is…
Relativistic treatment of spin-currents and spin-transfer torque
A. Vernes, B. L. Gyorffy, P. Weinberger
It is shown that a useful relativistic generalization of the conventional spin density for the case of moving electrons is the expectation value of the four-component Bargmann-Wign…
Non-collinear magnetic structures: a possible cause for current induced switching
P. Weinberger, A. Vernes, B. L. Gyorffy +1
Current induced switching in Co/Cu/Co trilayers is described in terms of ab-initio determined magnetic twisting energies and corresponding sheet resistances. In viewing the twistin…
Limitations of the two-media approach in calculating magneto-optical properties of layered systems
A. Vernes, L. Szunyogh, P. Weinberger
It is shown that in polar geometry and normal incidence the 2x2 matrix technique - as discussed in detail in a preceeding paper [Phys. Rev. B 65, 144448 (2002)] - accounts correctl…