English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

We present a very efficient and accurate method to simulate scanningtunneling microscopy images and spectra from first-principles densityfunctional calculations. The wave-functions of the tip and sample arecalculated separately on the same footing, and propagated far from the surfaceusing the vacuum Green's function. This allows to express the Bardeen matrixelements in terms of convolutions, and to obtain the tunneling current at alltip positions and bias voltages in a single calculation. The efficiency of themethod opens the door to real time determination of both tip and surfacecomposition and structure, by comparing experiments to simulated images for avariety of precomputed tips. Comparison with the experimental topography andspectra of the Si(111)-(7x7) surface show a much better agreement with Si thanwith W tips, implying that the metallic tip is terminated by silicon.Comment: 4 pages, 4 figure

Tip and Surface Determination from Experiments and Simulations of Scanning Tunneling Microscopy and Spectroscopy