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Energy dependent LDOS for a benzene device

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Anders Blom:
I have used the script, with a few minor modifications, to plot the LDOS of a quite different structure. I can't reveal the particulars, but it's a sandwich structure of two different semiconductors A-B-A, where B is a wide-gap material; the junctions are indicated by the red lines.

The white areas are as above regions of high density of states, i.e. the non-white regions indicate the band gap. Thus we here get an atomic-scale illustration of the band bending and band alignment of a heterojunction, and we can follow (sort of) how the top of the valence band and the bottom of the conduction band behave as a function of the Z coordinate.

Parveen:

--- Quote from: kstokbro on August  8, 2011, 21:16 ---The attached figure shows the LDOS along z (averaged over x and y), for DTB coupled with gold electrodes. Note how the high density of states coincides with the resonances in the transmission spectrum. I also attach the scripts used for generating the figure.

--- End quote ---


i was trying same for 1.6V but didn't get much success. so far i was changing left electrode and right electrode potentials in new calculator. is there anything else that i can do to get the LDOS image at 1.6V?

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