Questions tagged [vacuum-potential]

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Non-constant Vacuum potential

I relaxed Na2S2 molecule in QuantumEspresso and plotted the planar average of potential energy across z axis so as to find the Vacuum potential. This is the output I got : As you can see the vacuum ...
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Methods to determine the vacuum level in 2D compounds in the presence of dipoles

When 2D compounds have a dipole, the potential distribution becomes linear (the left panel of the figure). After considering the dipole correction, the potential has two plateau regions in the vacuum (...