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News and Announcements / New mini-tutorial: tuning the work function of a metal surface...

« on: February 11, 2014, 18:16 »

Check how you can easily build an oxide-metal interface with VNL
and calculate with ATK the work function change induced on the metal surface by the deposition of an ultra-thin oxide film:

Tuning the work function of silver by deposition of ultrathin oxide layers

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News and Announcements / New mini-tutorial: Isotope impurity effect on a single-wall carbon nanotube!

« on: January 16, 2014, 16:23 »

In this mini-tutorial you will study the effect a ring of ¹⁴C atoms embedded in a "regular" carbon nanotube on the thermal transport properties.
You will use the graphical user interface to set the structure and calculation up, but the part that makes this work requires Python scripting.
This tutorial really demonstrates some of the power that comes with having a direct programming interface to the core calculation engine.

Link: Isotope impurity effect on a single-wall carbon nanotube