Exploring three-dimensional orbital imaging with energy-dependent photoemission tomography

被引：75

作者：

Weiss, S. ^{[1
,2
]}

Lueftner, D. ^{[3
]}

Ules, T. ^{[3
]}

Reinisch, E. M. ^{[3
]}

Kaser, H. ^{[4
]}

Gottwald, A. ^{[4
]}

Richter, M. ^{[4
]}

Soubatch, S. ^{[1
,2
]}

Koller, G. ^{[3
]}

Ramsey, M. G. ^{[3
]}

Tautz, F. S. ^{[1
,2
]}

Puschnig, P. ^{[3
]}

机构：

[1] Forschungszentrum Julich, Peter Grunberg Inst PGI 3, D-52425 Julich, Germany

[2] JARA, Fundamentals Future Informat Technol, D-52425 Julich, Germany

[3] Graz Univ, Inst Phys, NAWI Graz, A-8010 Graz, Austria

[4] PTB, D-10587 Berlin, Germany

来源：

NATURE COMMUNICATIONS | 2015年 / 6卷

基金：

奥地利科学基金会;

关键词：

ELECTRONIC-STRUCTURE; BAND-DISPERSION; SUBSTRATE; ALIGNMENT;

D O I：

10.1038/ncomms9287

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Recently, it has been shown that experimental data from angle-resolved photoemission spectroscopy on oriented molecular films can be utilized to retrieve real-space images of molecular orbitals in two dimensions. Here, we extend this orbital tomography technique by performing photoemission initial state scans as a function of photon energy on the example of the brickwall monolayer of 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) on Ag(110). The overall dependence of the photocurrent on the photon energy can be well accounted for by assuming a plane wave for the final state. However, the experimental data, both for the highest occupied and the lowest unoccupied molecular orbital of PTCDA, exhibits an additional modulation attributed to final state scattering effects. Nevertheless, as these effects beyond a plane wave final state are comparably small, we are able, with extrapolations beyond the attainable photon energy range, to reconstruct three-dimensional images for both orbitals in agreement with calculations for the adsorbed molecule.

引用

页数：8

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