Author Topic: Making a Device for MoS2  (Read 77 times)

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Offline hsuya

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Making a Device for MoS2
« on: March 23, 2020, 00:08 »
I am having a confusion regarding making a device using MoS2 as when I am clicking device from bulk it is showing no electron on the left electrode side.
However when I swap the axes the option for "device" is not showing either.
What change should I make?
« Last Edit: March 23, 2020, 00:12 by hsuya »

Offline Petr Khomyakov

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Re: Making a Device for MoS2
« Reply #1 on: March 23, 2020, 01:47 »

Offline hsuya

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Re: Making a Device for MoS2
« Reply #2 on: March 23, 2020, 13:33 »
I checked that tutorial.
Here is a question I asked before
https://forum.quantumatk.com/index.php?topic=6271.msg26537#msg26537
and I was said that I shouldn't swap the axes.
I have attached the two structures that we get with and without swapping the axes.
If I want to do adsorption on a monolayer which structure should I prefer the one with hexagonal unit cell  or the other one made by following the tutorial .

Here mos2_wohex.py - mos2 structure without hexagonal lattice type
 and mos2.py - mos2 with hexagonal lattice type.

Offline Petr Khomyakov

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Re: Making a Device for MoS2
« Reply #3 on: March 24, 2020, 02:18 »
You should take the structure that allows you building a device, i.e., not hexagonal one.

Offline berna

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Re: Making a Device for MoS2
« Reply #4 on: March 24, 2020, 17:11 »
How can I make a nanotube from simple monoclinic structure?

Offline Petr Khomyakov

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Re: Making a Device for MoS2
« Reply #5 on: March 25, 2020, 16:41 »
How can I make a nanotube from simple monoclinic structure?
See a reply to your other post: https://forum.quantumatk.com/index.php?topic=6307.msg26581#new