journal article·2024-10Open access

Emergence of critical thickness and multifaceted role of stacking faults in high misfit hexagonal ferrites films

Xiangfei Li, Zonglin Lv, Ying Meng, Luyao Wang, Haoyu Zhuang, Qinwen Guo, Xiaohui Yu, Xi Shen, Jun Miao, Richeng Yu

Acta Materialia· Volume 279

Abstract

Polarization in improper ferroelectrics is believed to be robust against the depolarizing field. However, this characteristic appears to be disrupted in hexagonal ferrite and manganite, leading to a controversial debate regarding the origin of the critical thickness. In this study, we design hexagonal TbFeO 3 ( h -TFO) films which exhibits a critical thickness exceeding 5 nm at room temperature and an exceptionally long suppression layer in thicker films . It is explained that the critical thickness effect originates from the synergistic interplay of the interface, strain, and vacancies, which is confirmed by combining scanning transmission electron microscopy (STEM), electron energy-loss spectroscopy (EELS) and density functional theory (DFT). This explanation is equally applicable to the polarization suppression near the stacking fault (SF). Finally, we find that the SF reduces the suppression length to an extent, and contributes to changes in the topological order of the domain in h -TFO film. Our study provides a more comprehensive understanding of the origin of critical thickness and the multifaceted role of the SF in ferroelectrics.
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Research context

OpenAlex topics: Magnetic Properties and Synthesis of Ferrites · Magnetic Properties and Applications · Iron oxide chemistry and applications

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References (42)

Show source-provided references
1. Towards the development of flexible non-volatile memories10.1002/adma.201301361 ↗
2. The properties of ferroelectric films at small dimensions10.1146/annurev.matsci.30.1.263 ↗
3. The origin of ferroelectricity in magnetoelectric YMnO10.1038/nmat1080 ↗
4. Direct observation of multiferroic vortex domains in YMnO3
5. Direct observation of interlocked domain walls in hexagonal MnO ( = Tm, Lu)10.1103/PhysRevB.85.020102 ↗
6. Insulating interlocked ferroelectric and structural antiphase domain walls in multiferroic YMnO310.1038/nmat2632 ↗
7. Topological defects in hexagonal manganites: inner structure and emergent electrostatics10.1021/acs.nanolett.7b01288 ↗
8. Topological defects as relics of emergent continuous symmetry and Higgs condensation of disorder in ferroelectrics10.1038/nphys3142 ↗
9. Absence of critical thickness in an ultrathin improper ferroelectric film10.1103/PhysRevLett.102.107601 ↗
10. Origin of the critical thickness in improper ferroelectric thin films10.1021/acsami.3c00412 ↗
11. The ultrathin limit of improper ferroelectricity10.1038/s41467-019-13474-x ↗
12. Stability of spontaneous polarization in ultrathin improper ferroelectrics10.1103/PhysRevB.84.140101 ↗
13. Interface-induced nonswitchable domains in ferroelectric thin films10.1038/ncomms5693 ↗
14. Atomic mechanism of polarization-controlled surface reconstruction in ferroelectric thin films10.1038/ncomms11318 ↗
15. Control of polarization in bulk ferroelectrics by mechanical dislocation imprint10.1126/science.abe3810 ↗
16. Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide10.1038/s41563-021-00956-x ↗
17. Quantitative measurement of displacement and strain fields from HREM micrographs10.1016/S0304-3991(98)00035-7 ↗
18. Ab-initio molecular-dynamics for liquid-metals10.1016/0022-3093(95)00355-X ↗
19. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
20. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
21. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
22. The effect of Coulomb correlation and magnetic ordering on the electronic structure of two hexagonal phases of ferroelectromagnetic YMnO10.1088/0953-8984/12/23/304 ↗
23. VASPKIT: a user-friendly interface facilitating high-throughput computing and analysis using VASP code10.1016/j.cpc.2021.108033 ↗
24. Possible absence of critical thickness and size effect in ultrathin perovskite ferroelectric films10.1038/ncomms15549 ↗
25. Direct structural determination in ultrathin ferroelectric films by analysis of synchrotron X-ray scattering measurements10.1103/PhysRevB.71.144112 ↗
26. Manipulation of magnetic properties by oxygen vacancies in multiferroic YMnO310.1002/adfm.201505031 ↗
27. Origin of the critical thickness in improper ferroelectric thin films10.1021/acsami.3c00412 ↗
28. Effect of epitaxial strain on the spontaneous polarization of thin film ferroelectrics10.1103/PhysRevLett.95.257601 ↗
29. Atomic mechanism of hybridization-dependent surface reconstruction with tailored functionality in hexagonal multiferroics10.1021/acsami.7b08055 ↗
30. A new ferroelectric phase of YMnO3 induced by oxygen- vacancy ordering10.1111/jace.12747 ↗
31. First-principles study of oxygen-vacancy pinning of domain walls in PbTiO310.1103/PhysRevB.68.134103 ↗
32. Crystal structure, chemical expansion and phase stability of HoMnO at high temperature10.1016/j.jssc.2012.07.024 ↗
33. Effect of a single dislocation in a heterostructure layer on the local polarization of a ferroelectric layer10.1103/PhysRevLett.102.117601 ↗
34. Can interface dislocations degrade ferroelectric properties?10.1063/1.1788894 ↗
35. Topology breaking of the vortex in multiferroic Y Lu MnO10.1063/1.4887057 ↗
36. Nanoscale analysis of dispersive ferroelectric domains in bulk of hexagonal multiferroic ceramics10.1016/j.matchar.2018.08.042 ↗
37. Defect-enhanced polarization switching in the improper ferroelectric LuFeO310.1002/adma.202000508 ↗
38. Antiphase-boundary-engineered domain switching in a (110)-Oriented BiFeO3 Film10.1021/acsaelm.1c00392 ↗
39. Designing antiphase boundaries by atomic control of heterointerfaces10.1073/pnas.1808812115 ↗
40. Observation of electric-field-induced structural dislocations in a ferroelectric oxide10.1021/acs.nanolett.0c04816 ↗
41. Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data10.1063/1.4891714 ↗
42. Dimensionality-induced change in topological order in multiferroic oxide superlattices10.1103/PhysRevLett.126.157601 ↗