Messages

1

General Questions and Answers / Re: PLDOS analysis

« on: June 25, 2018, 15:58 »

Dear Sir,
  In my opinion, the more delocalized of the PLDOS is, the larger value of current will be, this is a way to qualitativelly explain the micromechanism of quantum transport phenomenon. In my IV curves, the spin-down current is dominated (especially the situation of B-doping structure for AP configuration), that is to say, the delocalization of spin-down PLDOS is larger than that of spin-up PLDOS. However, when I calculated the spin-PLDOS, I got the opposite results.

2

General Questions and Answers / Re: PLDOS analysis

« on: June 20, 2018, 04:21 »

The delocalized of PLDOS indicates the larger current value, we observe that the delocalization of PLDOS for up lager than that for down, but the IV curves show that the current value for up smaller than that for down. That to say, PLDOS given opposite results compared with IV curves.

3

General Questions and Answers / PLDOS analysis

« on: June 16, 2018, 04:08 »

Dear sir,
    Resently，I computed the IV curves of γ-graphyne devices, the results display that I(down)>I(up) at Vb=0.5V, that is to say, we can get I(down) at Vb=0.5V. However, when I plot the PLDOS figures to explain the micromechanism of this phenomenon, I found that the PLDOS given opposite results compared with IV curves. I cannot get the answer of this issue.
Sincerely,
Echo