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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

Here, we have investigated the band alignment at the interface of amorphous aluminum oxide (am-Al 2O 3) 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-Al 2O 3 density of states calculated from a weighted ensemble of crystalline Al 2O 3 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-Al 2O 3/p-Ge, which is reduced by 0.20 eV upon annealing as interfacial GeOx is formed.
Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [1] ;  [3]
  1. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
  2. Synchrotron SOLEIL, Gif-sur-Yvette (France)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Report Number(s):
BNL-209755-2018-JAAM
Journal ID: ISSN 2475-9953; PRMHAR
Grant/Contract Number:
SC0012704
Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 11; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
47 OTHER INSTRUMENTATION
OSTI Identifier:
1487253
Alternate Identifier(s):
OSTI ID: 1484065

Quackenbush, Nicholas F., Cockayne, Eric, Ablett, James M., Siddons, D. Peter, Woicik, Joseph C., and Rumaiz, Abdul K.. Accurate band alignment at the amorphous Al2O3 /p-Ge(100) interface determined by hard x-ray photoelectron spectroscopy and density functional theory. United States: N. p., Web. doi:10.1103/PhysRevMaterials.2.114605.
Quackenbush, Nicholas F., Cockayne, Eric, Ablett, James M., Siddons, D. Peter, Woicik, Joseph C., & Rumaiz, Abdul K.. Accurate band alignment at the amorphous Al2O3 /p-Ge(100) interface determined by hard x-ray photoelectron spectroscopy and density functional theory. United States. doi:10.1103/PhysRevMaterials.2.114605.
Quackenbush, Nicholas F., Cockayne, Eric, Ablett, James M., Siddons, D. Peter, Woicik, Joseph C., and Rumaiz, Abdul K.. 2018. "Accurate band alignment at the amorphous Al2O3 /p-Ge(100) interface determined by hard x-ray photoelectron spectroscopy and density functional theory". United States. doi:10.1103/PhysRevMaterials.2.114605.
@article{osti_1487253,
title = {Accurate band alignment at the amorphous Al2O3 /p-Ge(100) interface determined by hard x-ray photoelectron spectroscopy and density functional theory},
author = {Quackenbush, Nicholas F. and Cockayne, Eric and Ablett, James M. and Siddons, D. Peter and Woicik, Joseph C. and Rumaiz, Abdul K.},
abstractNote = {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.},
doi = {10.1103/PhysRevMaterials.2.114605},
journal = {Physical Review Materials},
number = 11,
volume = 2,
place = {United States},
year = {2018},
month = {11}
}

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