feimi level has changed, the Fermi energy level are -4.37 eV and -5.07 eV for intrinsic and B-dopd graphene nano-ribbons. can you give some suggestions?
2011-03-01 caqhero 发件人： yashumimi 发送时间： 2011-03-01 16:22:40 收件人： siesta-l 抄送： 主题： Re:[SIESTA-L] how to analysis the band structure of B-dopedarmchair graphene ribbons I have a question :the feimi level hasn't change? At 2011-03-01 13:26:47，caqhero <[email protected]> wrote: hi， I recently calculated the energy band structure of B-doped armchair graphene ribbons, but I did not know how to analysis it. I have enclosed the figure of energy band structure of intrinsic and B-doped armchair graphene ribbons. In that figure, the left figure is for intrinsic armchair graphene ribbons and the right figure is B-doped armchair graphene ribbons. obviously intrinsic armchair graphene ribbons is a semiconductor, but is it B-doped armchair graphene ribbons semiconductor ? Is that can be deduced from the energy figure ? B-doped armchair graphene ribbons seems a metal, am I right ? can any one help me to analysis it ? any suggestion is appreciated ! thank you ! 2011-03-01 caqhero
