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

Eung Gun Kim; Jean Luc Brédas

doi:10.1016/j.orgel.2012.11.028

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

Eung Gun Kim, Jean Luc Brédas^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

21 Scopus citations

Abstract

We propose a new structural model for the Al(1 1 1)/Al₂O ₃(0 0 0 1) 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.

Original language	English (US)
Pages (from-to)	569-574
Number of pages	6
Journal	Organic Electronics
Volume	14
Issue number	2
DOIs	https://doi.org/10.1016/j.orgel.2012.11.028
State	Published - Feb 2013
Externally published	Yes

Keywords

Aluminum
Aluminum oxide
Density functional theory
Interface structure
Interfacial level alignment
Work function

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Biomaterials
General Chemistry
Condensed Matter Physics
Materials Chemistry
Electrical and Electronic Engineering

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10.1016/j.orgel.2012.11.028

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

abstract = "We propose a new structural model for the Al(1 1 1)/Al2O 3(0 0 0 1) 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.",

keywords = "Aluminum, Aluminum oxide, Density functional theory, Interface structure, Interfacial level alignment, Work function",

author = "Kim, {Eung Gun} and Br{\'e}das, {Jean Luc}",

year = "2013",

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doi = "10.1016/j.orgel.2012.11.028",

language = "English (US)",

volume = "14",

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journal = "Organic Electronics",

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publisher = "Elsevier B.V.",

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T2 - A nanoscale picture of the interfacial structure and energy-level alignment

AU - Kim, Eung Gun

AU - Brédas, Jean Luc

PY - 2013/2

Y1 - 2013/2

N2 - We propose a new structural model for the Al(1 1 1)/Al2O 3(0 0 0 1) 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.

AB - We propose a new structural model for the Al(1 1 1)/Al2O 3(0 0 0 1) 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.

KW - Aluminum

KW - Aluminum oxide

KW - Density functional theory

KW - Interface structure

KW - Interfacial level alignment

KW - Work function

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U2 - 10.1016/j.orgel.2012.11.028

DO - 10.1016/j.orgel.2012.11.028

M3 - Article

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SN - 1566-1199

VL - 14

SP - 569

EP - 574

JO - Organic Electronics

JF - Organic Electronics

IS - 2

ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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