electric filed direction and electron accumlation(depletion)

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Locked
Message
Author
megan
Newbie
Newbie
Posts: 1
Joined: Wed Jul 15, 2015 8:07 am
License Nr.: 5-805

electric filed direction and electron accumlation(depletion)

#1 Post by megan » Sat Jun 18, 2016 5:22 am

I am confused about the plane-averaged electrostatic potential and electronic charge density difference, when I add a negetive direction electric field, the electron accumlation occurs near the upper slab, while electron depletion occurs near the bottom slab. the phneomenon seems contradicted with what electric filed direction we infer from foundmental physicals and some result in published articles. However, I repeatedly confirm my result, and attach the related result in the attachment.
The model difference is that I put the four-layer slab at the bottom and 15 angstrom vacuum above, while some models in the published articles was that slab in the middle of the model, vaccum at the both end.
Looking forward to your reply and suggestions. Thank you very much.

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: electric filed direction and electron accumlation(depletion)

#2 Post by support_vasp » Thu Sep 12, 2024 6:59 am

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


Locked