First-principles study of transport properties of Al wires: Comparison between crystalline and jellium electrodes

被引：15

作者：

Fujimoto, Y ^{[1
]}

Asari, Y

Kondo, H

Nara, J

Ohno, T

机构：

[1] Univ Tokyo, Inst Ind Sci, Minato Ku, Tokyo 1538505, Japan

[2] Natl Inst Mat Sci, Computat Mat Sci Ctr, Tsukuba, Ibaraki 3050047, Japan

来源：

PHYSICAL REVIEW B | 2005年 / 72卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.72.113407

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We investigate effects of electrode structures on transport properties of Al monatomic wires sandwiched between Al electrodes by using first-principles calculations. To exhibit the effects, we compare the conductance obtained by employing the jellium electrode with that by the crystalline one. Although the conductance spectrum of the jellium-electrode model is considerably different from that of the crystalline-electrode one, setting Al(001) atomic layers on the jellium electrode surface improves the conductance values of the jellium-electrode models at the Fermi energy.

引用

页数：4

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