Zintl layer formation during perovskite atomic layer deposition on Ge (001)

Shen Hu, Edward L. Lin, Ali K. Hamze, Agham Posadas, Hsinwei Wu, David Smith, Alexander A. Demkov, John G. Ekerdt

Research output: Contribution to journalArticle

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Abstract

Using in situ X-ray photoelectron spectroscopy, reflection high-energy electron diffraction, and density functional theory, we analyzed the surface core level shifts and surface structure during the initial growth of ABO3 perovskites on Ge (001) by atomic layer deposition, where A = Ba, Sr and B = Ti, Hf, Zr. We find that the initial dosing of the barium- or strontium-bis(triisopropylcyclopentadienyl) precursors on a clean Ge surface produces a surface phase that has the same chemical and structural properties as the 0.5-monolayer Ba Zintl layer formed when depositing Ba by molecular beam epitaxy. Similar binding energy shifts are found for Ba, Sr, and Ge when using either chemical or elemental metal sources. The observed germanium surface core level shifts are consistent with the flattening of the initially tilted Ge surface dimers using both molecular and atomic metal sources. Similar binding energy shifts and changes in dimer tilting with alkaline earth metal adsorption are found with density functional theory calculations. High angle angular dark field scanning transmission microscopy images of BaTiO3, SrZrO3, SrHfO3, and SrHf0.55Ti0.45O3 reveal the location of the Ba (or Sr) atomic columns between the Ge dimers. The results imply that the organic ligands dissociate from the precursor after precursor adsorption on the Ge surface, producing the same Zintl template critical for perovskite growth on Group IV semiconductors during molecular beam epitaxy.

Original languageEnglish (US)
Article number052817
JournalJournal of Chemical Physics
Volume146
Issue number5
DOIs
StatePublished - Feb 7 2017

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Atomic layer deposition
atomic layer epitaxy
Dimers
Core levels
Binding energy
Molecular beam epitaxy
shift
dimers
Density functional theory
Metals
Alkaline Earth Metals
Germanium
molecular beam epitaxy
binding energy
Adsorption
Strontium
Reflection high energy electron diffraction
density functional theory
Barium
adsorption

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Hu, S., Lin, E. L., Hamze, A. K., Posadas, A., Wu, H., Smith, D., ... Ekerdt, J. G. (2017). Zintl layer formation during perovskite atomic layer deposition on Ge (001). Journal of Chemical Physics, 146(5), [052817]. https://doi.org/10.1063/1.4972071

Zintl layer formation during perovskite atomic layer deposition on Ge (001). / Hu, Shen; Lin, Edward L.; Hamze, Ali K.; Posadas, Agham; Wu, Hsinwei; Smith, David; Demkov, Alexander A.; Ekerdt, John G.

In: Journal of Chemical Physics, Vol. 146, No. 5, 052817, 07.02.2017.

Research output: Contribution to journalArticle

Hu, S, Lin, EL, Hamze, AK, Posadas, A, Wu, H, Smith, D, Demkov, AA & Ekerdt, JG 2017, 'Zintl layer formation during perovskite atomic layer deposition on Ge (001)', Journal of Chemical Physics, vol. 146, no. 5, 052817. https://doi.org/10.1063/1.4972071
Hu, Shen ; Lin, Edward L. ; Hamze, Ali K. ; Posadas, Agham ; Wu, Hsinwei ; Smith, David ; Demkov, Alexander A. ; Ekerdt, John G. / Zintl layer formation during perovskite atomic layer deposition on Ge (001). In: Journal of Chemical Physics. 2017 ; Vol. 146, No. 5.
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