Accurate band alignment at the amorphous Al2O3 /p-Ge(100) interface determined by hard x-ray photoelectron spectroscopy and density functional theory

Quackenbush, Nicholas F.; Cockayne, Eric; Ablett, James M.; Siddons, D. Peter; Woicik, Joseph C.; Rumaiz, Abdul K.

doi:10.1103/PhysRevMaterials.2.114605

Title: Accurate band alignment at the amorphous ${Al}_{2} O_{3}$ /p-Ge(100) interface determined by hard x-ray photoelectron spectroscopy and density functional theory

Journal Article · Fri Nov 30 00:00:00 EST 2018 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.2.114605· OSTI ID:1487253

Quackenbush, Nicholas F. ^[1]; Cockayne, Eric ^[1]; Ablett, James M. ^[2]; Siddons, D. Peter ^[3]; Woicik, Joseph C. ^[1]; Rumaiz, Abdul K. ^[3]

National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
Synchrotron SOLEIL, Gif-sur-Yvette (France)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Here, we have investigated the band alignment at the interface of amorphous aluminum oxide (am-Al₂O₃) grown by atomic layer deposition on p-Ge(100) and the effects of postgrowth annealing using hard x-ray photoelectron spectroscopy and density function theory (DFT). Accurate determination of the valence-band offsets was obtained by comparing the experimentally measured valence bands with DFT-calculated densities of states. The am-Al₂O₃ density of states calculated from a weighted ensemble of crystalline Al₂O₃ structures gives excellent agreement with experiment, sufficiently capturing the nonlinear shape of the valence-band edge. We report a valence-band offset of 2.60 ± 0.1 eV for am-Al₂O₃/p-Ge, which is reduced by 0.20 eV upon annealing as interfacial GeOx is formed.

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

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

Grant/Contract Number:: SC0012704

OSTI ID:: 1487253

Alternate ID(s):: OSTI ID: 1484065

Report Number(s):: BNL-209755-2018-JAAM; PRMHAR

Journal Information:: Physical Review Materials, Vol. 2, Issue 11; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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Title: Accurate band alignment at the amorphous ${Al}_{2} O_{3}$ /p-Ge(100) interface determined by hard x-ray photoelectron spectroscopy and density functional theory