QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: POP on January 28, 2012, 11:15

Title: length of nanotube
Post by: POP on January 28, 2012, 11:15

how to determine length of nanotube ???

Title: Re: length of nanotube
Post by: Nordland on January 28, 2012, 12:08

The length of carbon nanotube can in nature be microns, and when simulating them they can be infinite or finite. You will need to be bit more precise on what you are trying to do or what you want to do ?

Title: Re: length of nanotube
Post by: zh on January 28, 2012, 17:04

If you know how construct the atomic structure of  (6,0) GaN nanotube and the meaning of the index of (6,0), you will easily know how to get the diameter and length of the (6,0) GaN nanotube.

Title: Re: length of nanotube
Post by: POP on January 30, 2012, 10:16

when i calculate band gap, the script gives both the indirect and direct band gap values then how i conclude that a particular structure has direct or indirect bandgap?????????????

Title: Re: length of nanotube
Post by: zh on January 30, 2012, 11:11

If you plot the band structure, you can easily identify which one is the direct (or indirect) band gap.  The smallest one in the printed values of band gap will correspond to the fundamental band gap.

Title: Re: length of nanotube
Post by: POP on January 30, 2012, 11:47

Thanks :)