QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Maneesh on August 14, 2013, 13:46

Title: how to build Script for setting up Z-shaped mos2 junctions
Post by: Maneesh on August 14, 2013, 13:46: Dear sir

please how to build up the z-shaped mos2 junction as given in graphene junction devices

give in detail. and how to script generate of z shaped mos2 junction devices.

so i am very thanks your quantumwise team
Title: Re: how to build Script for setting up Z-shaped mos2 junctions
Post by: kstokbro on August 16, 2013, 15:26: I would proceed by
1. build a MoS2 monolayer: http://www.quantumwise.com/publications/tutorials/builder/177-mos2-nanotubes
2. Repeat it to form a large sheet
3. Remove atoms to make the z-shape
4. Use bulk2device to form the two-probe system
Title: Re: how to build Script for setting up Z-shaped mos2 junctions
Post by: Maneesh on August 29, 2013, 07:58: Dear sir,

Can I use extended Huckel method for mos2 junction devices calculation of transmission spectra, and other properties of as given in graphene devices tutorials. what are the k point sampling and other variables must required please suggest to me .

thanks
maneesh
Title: Re: how to build Script for setting up Z-shaped mos2 junctions
Post by: Maneesh on September 6, 2013, 07:08: Dear sir

Dft study is possible of mos2 junction devices is possible as given in the tutorial of graphene junction devices.
what are parameter such as for k point sampling and transmission spectra find .

please to help me

thanks

maneesh
Title: Re: how to build Script for setting up Z-shaped mos2 junctions
Post by: Anders Blom on September 7, 2013, 12:10: I would expect similar values as for graphene are relevant since the band gap in MoS2 is at or around the K point too. But these things really should be part of the investigation you carry out to determine, by careful consideration of the band structure and simply by increasing the accuracy (number of k-points) until the results don't change.