Questions tagged [electric-field]

Questions pertaining to electric fields wrt materials modeling.

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Is there any way to simulate the Polarization vs Electric Field loop of BaTiO3 using Quantum ESPRESSO?

I'm new to the Quantum ESPRESSO package. There are articles outlining the procedure of indirectly simulating the P-E loop of piezo-electric materials via berry phase calculations.One procedure is ...
8
votes
1answer
46 views

Electric Field Calculations in VASP

Can someone share appropriate tags and method to apply Electric Field in VASP?
11
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1answer
43 views

Modelling ion Drift-Diffusion under an external electric potential, convergency in PDE?

Ion drift-diffusion under the effect of an external electric field is a phenomenon with a huge relevancy in light emitting devices, neuromorphic architectures and in general molecular electronics Up ...