Messages

1

General Questions and Answers / Re: Multi-grid boundary conditions setting

« on: February 24, 2012, 13:50 »

Thanks for your help!
1. Do you mean that I should make the dieletric layer more closed(less than 10A)  to the upper plane of GNR?
2. Do you mean that I should use dirichlet boundary for zero gate voltage and neumann boudary for any voltage but zero?

2

General Questions and Answers / Multi-grid boundary conditions setting

« on: February 23, 2012, 08:04 »

I have known that boundary conditions are related to Hartree potential. Now, I want to calculate the transimission spectrum of a gate-voltage controled Bilayer graphene nanoribbon, the picture of  which is attached below. In this real case, is there someone could tell me what is the most correct setting? What's the difference between periodic, dirichlet and neumann?
    Thank you!

3

General Questions and Answers / bulk or device transmission spectrum, which one is correct?

« on: February 21, 2012, 05:21 »

bulk or device transmission spectrum, which one is correct?