Abstract
We present an ab initio O(N) method that combines an accurate optimized-orbital solution of the electronic structure problem with an efficient Green's function technique for evaluating the quantum conductance. As an important illustrative example, we investigate carbon nanotube-metal contacts and explain the anomalously large contact resistance observed in nanotube devices as due to the spatial separation of their conductance eigenchannels. The results for various contact geometries and strategies for improving device performance are discussed.
| Original language | English |
|---|---|
| Article number | 245423 |
| Pages (from-to) | 2454231-2454235 |
| Number of pages | 5 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 64 |
| Issue number | 24 |
| State | Published - Dec 15 2001 |
| Externally published | Yes |