QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: njuxyh on August 17, 2016, 15:22

Title: MGGA is suitable for the transport calculation of two-probe configuration
Post by: njuxyh on August 17, 2016, 15:22

Hi all:

i saw MGGA can give reasonable band gap for bulk, my question is that it is suitable for the transport calulation of two-probe configuration,because i want to get reasonalbe band gap in the transmission spectrum.

thanks very much!!

best wishes

Title: Re: MGGA is suitable for the transport calculation of two-probe configuration
Post by: Umberto Martinez on August 17, 2016, 17:43

Sure, see these two tutorials:
http://docs.quantumwise.com/tutorials/nisi2-si/nisi2-si.html
http://docs.quantumwise.com/tutorials/silicon_pn_junction/silicon_pn_junction.html

and this publication http://dx.doi.org/10.1016/j.sse.2015.09.005