QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: asu on November 17, 2017, 17:36

Title: mos2/si interface
Post by: asu on November 17, 2017, 17:36

Respected quantumwise team

please suggest to me how to build Mos2/silicon (100) interface structre.


Thanks

asu

Title: Re: mos2/si interface
Post by: asu on November 17, 2017, 18:03

respected quantumwsie team

I have build si-mos2 interface structre which correct or not please suggest to me.

Thanks

asu

Title: Re: mos2/si interface
Post by: Petr Khomyakov on November 17, 2017, 21:30

I guess it is hard to say whether this structure is correct or not, because this is totally up to you to decide on what kind of system you want to study. There are many way of building this interface, e.g., this can be a single monolayer of MoS2 on the Si(001) surface, or multilayered MoS2, or interface between two semi-infinite structures.