摘要
Self-consistent calculations of electron density distribution from first principles for a series of semi-infinite metals show that the electron density almost drops to zero at 8.5 a.u. away from a metal surface. The electron densities in a series of bimetallic-electrode systems with a distance between the two electrodes of 21.7 a.u. are further investigated. Spin-polarized calculations of electron density for nonmagnetic and magnetic bimetallic-electrode systems are compared. Our work is helpful for first principles investigation of spin-dependent metal-molecule-metal tunneling junctions.
| 原文 | English |
|---|---|
| 頁（從 - 到） | 325-328 |
| 頁數 | 4 |
| 期刊 | Applied Physics A: Materials Science and Processing |
| 卷 | 104 |
| 發行號 | 1 |
| DOIs | |
| 出版狀態 | Published - 1 12月 2010 |