Atom-resolved electronic spectra for Alq3 from theory and experiment

被引：173

作者：

Curioni, A ^{[1
]}

Andreoni, W

Treusch, R

Himpsel, FJ

Haskal, E

Seidler, P

Heske, C

Kakar, S

van Buuren, T

Terminello, LJ

机构：

[1] IBM Corp, Div Res, Zurich Res Lab, CH-8803 Ruschlikon, Switzerland

[2] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA

[3] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA

[4] Univ Calif Lawrence Livermore Natl Lab, Livermore, CA 94551 USA

来源：

APPLIED PHYSICS LETTERS | 1998年 / 72卷 / 13期

关键词：

D O I：

10.1063/1.121119

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The electronic structure of Alq(3) is investigated using density functional theory-based calculations, photoemission and near-edge x-ray absorption fine structure. The distinct features of the observed spectra are understood in terms of contributions from the different atoms and molecular orbitals. Fingerprints of the molecular bonding and of the individual atoms are identified. These results are meant to be a reference for the monitoring of chemical processes that Alq(3) may undergo during fabrication or degradation of light-emitting devices, and for the understanding of the effects of ligand or metal substitution. (C) 1998 American Institute of Physics.

引用

页码：1575 / 1577

页数：3

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