Questions tagged [solid-solid-interface]
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Electron Affinity of Semiconductors via DFT
Can we calculate electron affinity of a semiconductor (e.g., for Si) using density functional theory calculations in VASP? Which calculations are needed to compute electron affinity and band offsets?
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How to determine whether we can put two semiconductor thin film together?
I am beginner of material modelling that's why my question may be basic and I have no direction. If we want to see whether two crystal layer(semiconductor) can be put together, can the DFT calculation ...
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What are the steps to prepare a solid-solid interface for adsorption studies in plane-wave DFT?
Please, how may one simulate a solid-solid interface that one can carry out adsorption studies from. I tried using virtual nanolab in Quantum ATK but didn't get a hand of it.
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