標題: First principles study of the electron density distribution in a pair of bare metallic electrodes
作者: Ma, Chun-Lan
Chen, Yu-Chang
Nghiem, Diu
Tseng, Allen
Huang, Pao-Chieh
電子物理學系
Department of Electrophysics
公開日期: 1-Jul-2011
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.
URI: http://dx.doi.org/10.1007/s00339-010-6141-y
http://hdl.handle.net/11536/22029
ISSN: 0947-8396
DOI: 10.1007/s00339-010-6141-y
期刊: APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
Volume: 104
Issue: 1
起始頁: 325
結束頁: 328
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