QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Adila on February 20, 2015, 03:42

Title: Width and energy gap of black phosphorene
Post by: Adila on February 20, 2015, 03:42

Dear Sir,
I tried to vary the width of black phosphorene to see its effect on the energy gap. However, the energy gap does not change. I read from papers, it should change. Does the mistake come from the structure? Attached is the structure of black phosphorene.
Thank you?

Title: Re: Width and energy gap of black phosphorene
Post by: Umberto Martinez on February 23, 2015, 09:27

We cannot see much from a picture.
Please, describe in detail how you vary the width of your structure, how you calculate the gap and possibly provide your scripts.

Title: Re: Width and energy gap of black phosphorene
Post by: Adila on February 25, 2015, 01:39

Alright Sir. Then, I'll email you directly regarding this problem. Thank you so much for your respond.