Topics

1

General Questions and Answers / CNT DOS

« on: April 3, 2011, 19:18 »

Dear Sir
the armchair (5,5) carbon nanotube exhibits a metalic behavior i.e (finite value of charge carriers in the DOS at the fermi level) but when i run it on ATK i found that DOS = zero around the fermi levelas shown in attached figure.why is that? 

2

General Questions and Answers / GNR

« on: March 18, 2011, 09:07 »

in nanohub simulation,the (4,0) GNR act as a semiconductor, but when i use ATK it act as metal .why is that?