QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: divyaling on July 26, 2016, 09:30

Title: MoS2 single layer.
Post by: divyaling on July 26, 2016, 09:30

Hi, am using ATK 2015.1 version and i want to know the band structures for MoS2 1L,2L,..... how to design the 2L and 3L. can u send the snapshot of dat layer structure.

Title: Re: MoS2 single layer.
Post by: Jess Wellendorff on July 26, 2016, 11:02

Sorry, but I do not know what the 1L or 2L indicates. Please be more specific, and also check out the introductory tutorials if you have not already done so, e.g. http://docs.quantumwise.com/tutorials/exploring_graphene.html (http://docs.quantumwise.com/tutorials/exploring_graphene.html)

Title: Re: MoS2 single layer.
Post by: divyaling on July 26, 2016, 11:14

1L-single layer and 2L-bilayer, 3layers. etc. how to calculate the band structure for Bilayer and three layers of MoS2???

Title: Re: MoS2 single layer.
Post by: Jess Wellendorff on July 26, 2016, 12:49

I guess the procedure is no different for a bilayer than for a monolayer, only the configurations are different. I think this tutorial is a great starting point: http://docs.quantumwise.com/tutorials/transmission_gr_mos2.html (http://docs.quantumwise.com/tutorials/transmission_gr_mos2.html)