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question about van der Waals heterojunctions #40

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yifei-zx opened this issue May 5, 2023 · 1 comment
Closed

question about van der Waals heterojunctions #40

yifei-zx opened this issue May 5, 2023 · 1 comment

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@yifei-zx
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yifei-zx commented May 5, 2023

Hi,
I found that the datasets with the double-layer structure in your article are all the same two layers. I would like to know if DeepH can be applied to van der Waals heterojunctions?

best regard.
@mzjb
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mzjb commented May 5, 2023

@yifei-zx
We have tested using DeepH-E3 to study several heterobilayer materials and have found that it can achieve similar accuracy to that of homobilayer materials.

@yifei-zx yifei-zx closed this as completed May 8, 2023
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@mzjb @yifei-zx