606 citations · 2.6k across the 20 of their papers we have counts for
21 papers
STM contrast of a CO dimer on a Cu(1 1 1) surface: a wave-function analysis
Alexander Gustafsson, Magnus Paulsson
We present a method used to intuitively interpret the STM contrast by investigating individual wave functions originating from the substrate and tip side. We use localized basis or…
Analysis of STM images with pure and CO-functionalized tips: A first-principles and experimental study
Alexander Gustafsson, Norio Okabayashi, Angelo Peronio +2
We describe a first principles method to calculate scanning tunneling microscopy (STM) images, and compare the results to well-characterized experiments combining STM with atomic f…
Scanning tunneling microscopy current from localized basis orbital density functional theory
Alexander Gustafsson, Magnus Paulsson
We present a method capable of calculating elastic scanning tunneling microscopy (STM) currents from localized atomic orbital density functional theory (DFT). To overcome the poor…
Influence of atomic tip structure on the intensity of inelastic tunneling spectroscopy data analyzed by combined scanning tunneling spectroscopy, force microscopy and density functional theory
Norio Okabayashi, Alexander Gustafsson, Angelo Peronio +3
Achieving a high intensity in inelastic scanning tunneling spectroscopy (IETS) is important for precise measurements. The intensity of the IETS signal can vary up to a factor three…
Theory of vibrationally assisted tunneling for hydroxyl monomer flipping on Cu(110)
Alexander Gustafsson, Hiromu Ueba, Magnus Paulsson
To describe vibrationally mediated configuration changes of adsorbates on surfaces we have developed a new theory to calculate both reaction rates and pathways. The method uses the…
Isotope effect in acetylene CH and CD rotations on Cu(001)
Yulia E. Shchadilova, Sergei G. Tikhodeev, Magnus Paulsson +1
A comprehensive analysis of the elementary processes behind the scanning tunneling microscope controlled rotation of CH and CD, isotopologues of a single acetylene…