Journal
PHYSICAL REVIEW B
Volume 82, Issue 9, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.82.094104
Keywords
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Funding
- Korean Government
- Ministry of Education, Science and Technology (MEST) [2009-0081961]
- World Class University [R31-2008-000-10075-0]
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This study examined the structural evolution of ultrathin Hf1-xZrxO2 composite films with various mixing ratios (x = 0, 0.1, 0.3, 0.5, 0.7, 0.9,1) prepared by atomic layer deposition using x-ray photoelectron spectroscopy (XPS), x-ray absorption spectroscopy (XAS), and x-ray absorption fine structure (XAFS) analysis. As the relative Zr concentration (x) was increased, the composite films underwent a martensitic transition from monoclinic to tetragonal crystal structures near x = 0.5-0.7. Zr K-and Hf L-3-edge XAFS revealed a change in the local structures near the Zr and Hf atoms with changes in the crystal structure. At a low Zr content (x <= 0.5), the next-nearest-neighbor coordination in the monoclinic (m) local structure showed significant structural disorder due to diverse structural reconstruction from the tetragonal (t) local structure. Combined XPS and O K-edge XAS studies revealed a decrease in the conduction-band (CB) edge energy with increasing x, whereas the valence-band edge energies were invariant. The evolution in the CB structures was analyzed using the concept of metal-ion crystal fields in the t and m cluster models.
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