Structurally induced large changes of the energy level alignment in CuPc on Cu(110)-(2×1)O

Maughan, Bret; Eads, Calley N.; Zahl, Percy; Monti, Oliver L. A.

doi:10.1103/PhysRevB.98.155106

Title: Structurally induced large changes of the energy level alignment in CuPc on $Cu (110) - (2 \times 1) O$

Journal Article · 01 October 2018 · Physical Review B

DOI: https://doi.org/10.1103/PhysRevB.98.155106 · OSTI ID:1476760

Maughan, Bret ^[1]; Eads, Calley N. ^[1]; Zahl, Percy ^[2]; Monti, Oliver L. A. ^[1]

Univ. of Arizona, Tucson, AZ (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

While it is becoming apparent that organic semiconductor/metal interfaces may exhibit a variety of different structural phases, it is at present unclear to what extent these different thin-film structures determine the interfacial electronic structure. Here, we observe large changes in the interfacial electronic structure for the case of copper(II) phthalocyanine (CuPc) on Cu(110)–(2×1)O. This striking evolution of the interfacial electronic structure occurs beyond the first monolayer of CuPc and is particularly evident in the frontier orbital region. Using scanning tunneling microscopy in conjunction with photoemission spectroscopy, we characterize ultrathin films of CuPc grown on oxygen reconstructed Cu(110). We propose that the observed unique changes to the electronic structure result from an abrupt transition in film structure between the first and second layers: An interface layer of ordered, face-on molecules templates a largely vertical, edge-on orientation of molecules in the subsequent layer. The quadrupole moment of the molecule accounts for the sizable and unusual change in ionization energy between molecules in the two layers. Lastly, our results demonstrate that the precise structure of the organic semiconductor film exerts an important role in determining the interfacial electronic structure that must be considered and may be harnessed for tailoring energy level alignment at such interfaces.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0012704

OSTI ID:: 1476760

Report Number(s):: BNL-209147-2018-JAAM

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 15 Vol. 98; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Structurally induced large changes of the energy level alignment in CuPc on $Cu (110) - (2 \times 1) O$