Conference paper
Atomistic approach for modeling metal-semiconductor interfaces
We present a general framework for simulating interfaces using an atomistic approach based on density functional theory and non-equilibrium Green's functions. The method includes all the relevant ingredients, such as doping and an accurate value of the semiconductor band gap, required to model realistic metal-semiconductor interfaces and allows for a direct comparison between theory and experiments via the I–V curve.
In particular, it will be demonstrated how doping — and bias — modifies the Schottky barrier, and how finite size models (the slab approach) are unable to describe these interfaces properly due to a poor representation of space-charge effects.
| Language: | English |
|---|---|
| Publisher: | IEEE |
| Year: | 2016 |
| Pages: | 895-898 |
| Proceedings: | 2016 IEEE 16th International Conference on Nanotechnology |
| ISBN: | 1509014934 , 1509014942 , 9781509014934 and 9781509014941 |
| Types: | Conference paper |
| DOI: | 10.1109/NANO.2016.7751401 |
| ORCIDs: | Brandbyge, Mads |
Doping Green's function methods I-V curve Photonic band gap Schottky barrier Schottky barriers Semiconductor device modeling Semiconductor process modeling Silicon Slabs density functional theory doping energy gap finite size model metal-semiconductor interfaces nonequilibrium Green's function methods semiconductor band gap semiconductor-metal boundaries space charge space-charge effects
