9 votes

How to determine whether we can put two semiconductor thin film together?

In the experiment, you can always put two semiconducting crystal layers together. For DFT simulation, you can also stack two semiconducting crystal layers together, but you must consider the lattice ...
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6 votes
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How to determine whether we can put two semiconductor thin film together?

Speaking as someone who does both computational modeling and experiment, there is not a trivial answer! I'm not sure if you are referring to 2D materials (which Jack addressed in his answer) but I am ...
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5 votes

Electron Affinity of Semiconductors via DFT

This may be a bit of a rough answer, so apologies in advance... Since the eigenvalues obtained using non-energy-consistent pseudopotentials (i.e. the situation in VASP as far as I know) do not ...
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5 votes

How to determine whether we can put two semiconductor thin film together?

Since we focusing on matter modeling I would try to provide a method a general method of actually creating these models. As others have mentioned, you will need to deal with the problem of ...
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3 votes

What are the steps to prepare a solid-solid interface for adsorption studies in plane-wave DFT?

You can get a tutorial for what you want in this way: Open the VirtualNanoLab From the Help menu, got to VNL Tutorials... Click ...
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