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

doi:10.1103/PhysRevMaterials.2.114605

This content will become publicly available on November 30, 2019

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:

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)

Publication Date:: 2018-11-30

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.

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                    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.

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                    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.

Copy to clipboard


                    
@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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Free Publicly Accessible Full Text
This content will become publicly available on November 30, 2019
Publisher's Version of Record
10.1103/PhysRevMaterials.2.114605
https://doi.org/10.1103/PhysRevMaterials.2.114605

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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

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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