Computing a Scanning Tunneling Microscopy map (STM and STS)

This page gives hints on how to obtain a Scanning Tunneling Microscopy map with the ABINIT package.

Copyright (C) 2016-2017 ABINIT group (XG)
Mentioned in   help_features#8.

Table of content:

 
 

1. Introduction.

The charge density of states close to the Fermi energy can be output, and provide a simple approach to STM image calculations (not for PAW). See input variable prtstm and stmbias for explanations. The example input file will also be useful. The angular momentum decomposed DOS can be evaluated in a sphere around any point, and provide STS analysis.

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2. Related input variables.

Compulsory input variables:

... occopt [OCCupation OPTion]
... prtstm [PRinT the STM density]
... stmbias [Scanning Tunneling Microscopy BIAS voltage]

Basic input variables:

... tsmear [Temperature of SMEARing]


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3. Selected input files.

WARNING : as of ABINITv8.6.x, the list of input files provided in the specific section of the topics Web pages is still to be reviewed/tuned. In some cases, it will be adequate, and in other cases, it might be incomplete, or perhaps even useless.

The user can find some related example input files in the ABINIT package in the directory /tests, or on the Web:

tests/v4/Input: t46.in


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