Geometrical Anatomy for Oxygen Vacancies in Epitaxial Hf<sub>0.5</sub>Zr<sub>0.5</sub>O<sub>2</sub> Films Grown via Atomic Layer Deposition
Abstract The selective influence of elastic strain on the formation of oxygen deficiencies in (001)‐, (110)‐, and (111)‐ epitaxial Hf 0.5 Zr 0.5 O 2 films grown by using atomic layer deposition is reported. Optical spectroscopy, conducted using UV–vis spectroscopic ellipsometry on these Hf 0.5 Zr 0.5 O 2 films grown on yttria‐stabilized zirconia substrates, revealed a dominant shallow trap level in the (111)‐oriented Hf 0.5 Zr 0.5 O 2 film. X‐ray photoemission spectroscopy demonstrated that the strong oxygen deficiency is preferred in the (111)‐oriented Hf 0.5 Zr 0.5 O 2 film. Density functional theory calculations of oxygen vacancy formation energy also showed a pronounced preference for oxygen deficiencies in the (111) orientation. This selective formation of oxygen vacancies in the (111)‐oriented Hf 0.5 Zr 0.5 O 2 film suggests that the latent phenomena associated with oxygen defects in functional Hf 0.5 Zr 0.5 O 2 films are partly attributed to the directional strain in the (111) orientation.
Authors
- Hongju Kim
- Jung Woo Cho (ORCID: https://orcid.org/0000-0002-2878-3209)
- Chihwan An (ORCID: https://orcid.org/0009-0008-3951-0717)
- Myeong Seop Song (ORCID: https://orcid.org/0000-0002-9750-8091)
- Seung Chul Chae (ORCID: https://orcid.org/0000-0002-0913-027X)
- Changhee Sohn (ORCID: https://orcid.org/0000-0002-5043-497X)
- Baekjune Kang (ORCID: https://orcid.org/0000-0001-9967-5232)
- Jun Hee Lee (ORCID: https://orcid.org/0000-0001-5121-244X)
- Tae Yoon Lee (ORCID: https://orcid.org/0000-0003-1754-8657)
Institutions
- Seoul National University of Education (KR)
- Ulsan National Institute of Science and Technology (KR)
Publication Details
- Journal
- Advanced Materials Interfaces
- Published
- 2024-12-04
- DOI
- https://doi.org/10.1002/admi.202400742
- Primary Topic
- Ferroelectric and Negative Capacitance Devices
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Research Foundation
- Ministry of Trade, Industry and Energy
- Korea Institute for Advancement of Technology
- National Research Foundation of Korea
- Iran Telecommunication Research Center
- Ministry of Science and ICT, South Korea
- Institute for Information and Communications Technology Promotion
- National Supercomputing Center, Korea Institute of Science and Technology Information