The nature of the aluminum-aluminum oxide interface: A nanoscale picture of the interfacial structure and energy-level alignment

被引：21

作者：

Kim, Eung-Gun ^{[1
,2
,3
]}

Bredas, Jean-Luc ^{[1
,2
,4
]}

机构：

[1] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA

[2] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA

[3] Dankook Univ, Dept Polymer Sci & Engn, Jukjeon 448701, Gyeonggi, South Korea

[4] King Abdulaziz Univ, Dept Chem, Jeddah 21589, Saudi Arabia

来源：

ORGANIC ELECTRONICS | 2013年 / 14卷 / 02期

基金：

美国国家科学基金会;

关键词：

Density functional theory; Aluminum; Aluminum oxide; Interface structure; Work function; Interfacial level alignment; ALPHA-AL2O3; 0001; SURFACE; WORK-FUNCTION; PHOTOEMISSION; SAPPHIRE; FILMS; ADSORPTION; GROWTH;

D O I：

10.1016/j.orgel.2012.11.028

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We propose a new structural model for the Al(111)/Al2O3(0001) interface based on density functional theory calculations. The ultrathin interface structure is shown to consist of two Al layers, one that is oxide-like and the other metal-like. Our model interface reproduces the barrier height to the oxide conduction band edge and predicts the oxide overlayer to lower the metal work function by 0.49 eV. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：569 / 574

页数：6

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