Abstract
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.
Original language | English |
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Pages (from-to) | 325-328 |
Number of pages | 4 |
Journal | Applied Physics A: Materials Science and Processing |
Volume | 104 |
Issue number | 1 |
DOIs | |
State | Published - 1 Dec 2010 |
Keywords
- Metal Surface
- Electron Density Distribution
- Principle Study
- Molecular Junction
- Jellium Model