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The atomic and electronic structure of Hf0.5Zr0.5O2 and Hf0.5Zr0.5O2:La films
Journal of Science: Advanced Materials and Devices ( IF 7.382 ) Pub Date : 2021-08-11 , DOI: 10.1016/j.jsamd.2021.08.001
Timofey V. Perevalov 1, 2 , Igor P. Prosvirin 3 , Evgenii A. Suprun 3 , Furqan Mehmood 4 , Thomas Mikolajick 4, 5 , Uwe Schroeder 4 , Vladimir A. Gritsenko 1, 2
Affiliation  

HfxZr1-xO2 and lanthanum-doped HfxZr1-xO2:La thin films are candidates for applications in ferroelectric random-access memory. Here, we explore the atomic and electronic structure of Hf0.5Zr0.5O2 and Hf0.5Zr0.5O2:La thin films grown by atomic layer deposition. Using X-ray photoelectron spectroscopy, it was found that the oxides under study have an almost identical electronic structure and a bandgap of about 5.4 eV. The Hf0.5Zr0.5O2:La film was shown to consist of the mixture of Hf0.5Zr0.5O2 and La2O3 phases. The bombardment with argon ions of the studied films leads to oxygen vacancy generation in the near-surface layer. The oxygen vacancy concentrations in the bombarded films were evaluated from the comparison of experimental valence band photoelectron spectra with the theoretical ones calculated using the density functional theory.



中文翻译:

Hf0.5Zr0.5O2和Hf0.5Zr0.5O2:La薄膜的原子和电子结构

Hf x Zr 1-x O 2和镧掺杂的Hf x Zr 1-x O 2 :La 薄膜是铁电随机存取存储器应用的候选材料。在这里,我们探索了通过原子层沉积生长的 Hf 0.5 Zr 0.5 O 2和 Hf 0.5 Zr 0.5 O 2 :La 薄膜的原子和电子结构。使用 X 射线光电子能谱,发现所研究的氧化物具有几乎相同的电子结构和约 5.4 eV 的带隙。Hf 0.5 Zr 0.5 O 2:La 膜显示为由 Hf 0.5 Zr 0.5 O 2和 La 2 O 3相的混合物组成。研究薄膜的氩离子轰击导致近表面层中产生氧空位。通过实验价带光电子光谱与使用密度泛函理论计算的理论价带光谱的比较来评估轰击薄膜中的氧空位浓度。

更新日期:2021-10-12
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