121 citations · 201 across the 5 of their papers we have counts for
5 papers
Electrochemical control of quantum interference in anthraquinone-based molecular switches
Troels Markussen, Jakob Schiøtz, Kristian S. Thygesen
Using first-principles calculations we analyze the electronic transport properties of a recently proposed anthraquinone based electrochemical switch. Robust conductance on/off rati…
Atomic-Scale Structure of Dislocations Revealed by Scanning Tunnelling Microscopy and Molecular Dynamics
J. Christiansen, K. Morgenstern, J. Schiøtz +5
The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics (MD). Whereas the STM…
Modelling of dislocation generation and interaction during high-speed deformation of metals
J. Schiøtz, T. Leffers, B. N. Singh
Recent experiments by Kiritani et al. have revealed a surprisingly high rate of vacancy production during high-speed deformation of thin foils of fcc metals. Virtually no dislocati…
Calculation of Elastic Green's Functions for Lattices with Cavities
J. Schiøtz, A. E. Carlsson
In this Brief Report, we present an algorithm for calculating the elastic Lattice Greens Function of a regular lattice, in which defects are created by removing lattice points. The…
Effects of crack tip geometry on dislocation emission and cleavage: A possible path to enhanced ductility
J. Schiøtz, L. M. Canel, A. E. Carlsson
We present a systematic study of the effect of crack blunting on subsequent crack propagation and dislocation emission. We show that the stress intensity factor required to propaga…