Dear all,
In ATK, both the bluk and device system can produce a transmission spectrum. In the device system, the transmission can be calculated by the Green function in the framwork of NEGF. While the transmission of bulk system seems to be related with the complex band structure. Adjacent cells are taken into consideration in the calculation procedure. If the atomic structure of a bulk system is the same as the central scattering region of another device system, and the resistance of the electrode region in device system is negligible, will we get the same transmission results? If not, how to understand the difference?
Thanks,
your Shizhuo.
