ArticleACS omega2022
Atomic-Layer-Deposited Aluminum Oxide Thin Films Probed with X-ray Scattering and Compared to Molecular Dynamics and Density Functional Theory Models.
Article in ACS omega, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- AlRSC advances · 2026Article
- Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules.Physical review materials · 2026Article
- Unveiling hydrogen chemical states in supersaturated amorphous alumina via machine learning-driven atomistic modeling.npj computational materials · 2025Article
- Modeling of Magnetic Films: A Scientific Perspective.Materials (Basel, Switzerland) · 2024Review
- On the Structure of Oxygen Deficient Amorphous Oxide Films.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
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Authors and funding
8 authors.
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Abstract
A better understanding of amorphous aluminum oxide's structure and electronic properties is obtained through combined experimental and computational approaches. Grazing incidence X-ray scattering measurements were carried out on aluminum oxide thin films grown using thermal atomic layer deposition. The corresponding pair distribution functions (PDFs) showed structures similar to previously reported PDFs of solid-state amorphous alumina and molten alumina. Structural models based on crystalline alumina polymorphs (PDFgui) and amorphous alumina (molecular dynamics, MD) were examined for structural comparisons to the experimental PDF data. Smaller MD models were optimized and verified against larger models to allow for quantum chemical electronic structure calculations. The electronic structure of the amorphous alumina models yields additional insight into the band structure and electronic defects present in amorphous alumina that are not present in crystalline samples.
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