PPSTM (Probe Particle STM)

Code simulating various various STM techniques, especially for tilting tips (depending on ProkopHapala/ProbeParticleModel ) This is implementation of efficient and simple model for simulation of High-resolution scanning tunneling microscopy (STM). Normall STM simulations using Chen's approximattion is part of the code as well

• BEWARE - latest numpy is probably causing problems within the code, the we have noticed problem with trying to run examples with periodic boundary conditions recently.
• BEWARE - after repairing misteake in d-orbitals the results for FePc are different. We are investigating it.

• currently developed Python3/C++ version of the PPSTM code:
  • works in python3(.7 and higher), matplotlib, cpp>=4.4.8 (look at wiki instruction for problems with MAC compilation), PyQt5 (for GUI ),for some parts ASE and GPAW are imporatant;
  • Part of the code regarding simulations with tilting tips is depending on the ProbeParticleModel developed by Prokop Hapala and co. (https://github.com/Probe-Particle/ppafm), you can easilly install it with pip install ppafm>=0.2.0a3.

For easy introduction to this code and its functionalities, try Graphic User Interface (GUI) or PPSTM_simple.py script.

Documentation is here at Wiki.

It can also simulate IETS images of molecules, if the imaging mechanism is driven by the amplitude of the IETS peak.

References (STM)

• Ondrej Krejčí, Prokop Hapala, Martin Ondráček, and Pavel Jelínek, Principles and simulations of high-resolution STM imaging with a flexible tip apex, Phys. Rev. B 95, 045407 – Published 6 January 2017

References (IETS & STM-d orbitals)

• Bruno de la Torre, Martin Švec, Giuseppe Foti, Ondřej Krejčí, Prokop Hapala, Aran Garcia-Lekue, Thomas Frederiksen, Radek Zbořil, Andres Arnau, Héctor Vázquez, and Pavel Jelínek, Submolecular Resolution by Variation of the Inelastic Electron Tunneling Spectroscopy Amplitude and its Relation to the AFM/STM Signal, Phys. Rev. Lett. 119, 166001 – Published 16 October 2017