Anomalous elastic softening in ferroelectric hafnia under pressure

Physical review. B./Physical review. B, Journal Year: 2025, Volume and Issue: 111(6)

Published: Feb. 18, 2025

Language: Английский

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3D Vertical Ferroelectric Capacitors with Excellent Scalability

Nano Letters, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 14, 2025

Three-dimensional vertically stacked memory is more cost-effective than two-dimensional memory. Vertically using ferroelectric materials has great potential not only in high-density but also neuromorphic fields because it secures low voltage and fast operation speed. This paper presents the implementation of a capacitor comprising vertical two-layer structure composed titanium nitride (TiN)/aluminum-doped hafnium oxide/TiN configuration. To enhance properties influenced by active area, we propose which multiple small holes share common pillar electrode. Comprehensive analyses transmission electron microscopy energy-dispersive X-ray spectroscopy were conducted to confirm chemical composition physical device. newly engineered architecture demonstrated promising characteristics, including sufficient remnant polarization, device-to-device variations, high endurance, excellent retention 3D structures. Moreover, this can be applied one-transistor n-capacitor random access with transistor.

Language: Английский

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Stress modulation of hafnium-based ferroelectric material orientation in 3D cylindrical capacitor

AIP Advances, Journal Year: 2025, Volume and Issue: 15(2)

Published: Feb. 1, 2025

Hafnium-based ferroelectric materials have attracted a lot of attention, but the distributions need to be tuned for commercialization, including phase distribution and polarization orientation distribution. The plays significant role in memory device performance; however, there been no reliable methods control this until now. This paper investigates 3D cylindrical capacitors. optimization is made possible because capacitor allows stress application tangential, axial, radial directions, offering wider range adjustment options than 2D planar structures. study focuses on how affects hafnium-based when diameters capacitors are varied. First, simulations conducted analyze with different diameters. results indicate that hafnium oxide layer experiences increased radical as diameter decreases. Subsequently, two fabricated, significantly improving thinner one. It found strongly related through correlation analysis. Finally, we demonstrate improvement thin films by first-principles calculations. provides valuable insights into influences crucial advancing use future technologies.

Language: Английский

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Ferroelectric control of spin and orbital Rashba effects at the Ni/HfO2 interface

Physical review. B./Physical review. B, Journal Year: 2025, Volume and Issue: 111(14)

Published: April 9, 2025

Language: Английский

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Coercive Field Control in Epitaxial Ferroelectric Hf_0.5Zr_0.5O₂ Thin Films by Nanostructure Engineering

ACS Applied Materials & Interfaces, Journal Year: 2025, Volume and Issue: unknown

Published: April 15, 2025

The discovery of ferroelectric hafnium oxide has spurred great interest in the semiconductor industry, enabled by its complementary metal-oxide-semiconductor compatibility and scalability. However, many questions remain regarding origin phases tunability properties. In this work, we explore influence laser fluence on coercive field (Ec) 10 nm-thick epitaxial rhombohedrally distorted orthorhombic (r-d o) Hf0.5Zr0.5O2 (HZO) films grown pulsed deposition La0.7Sr0.3MnO3-buffered (001) SrTiO3 substrates. When is decreased from 1.3 J cm-2 to 0.5 cm-2, Ec decreases ∼3.3 ∼2.7 MV/cm. Lower produces pure (111) oriented grains, while higher an additional (11-1) orientation, leading low angle tilt grain boundaries associated dislocations which can act as domain pinning sites. stabilization orientation tilting at energetics are consistent with density functional theory calculations. To achieve a HZO, important for energy-efficient memory applications, energetic growth conditions required, producing most highly perfect films.

Language: Английский

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Ab Initio Study on 3D Anisotropic Ferroelectric Switching Mechanism and Coercive Field in HfO₂ and ZrO₂

Advanced Functional Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 24, 2025

Abstract This study proposes a new ferroelectric switching mechanism in HfO 2 ‐based films by using density functional theory calculations. It predicts theoretical coercive field (E c ) consistent with the experimental value (≈1 MV cm −1 ). To this end, work considers anisotropic nucleation and growth of reversed polarization along three principal axes orthorhombic phase ZrO . approach differs from earlier that assumed homogeneous predicted too high E (≈10 ), recent prediction domain but still unrealistically Along b‐direction involving non‐polar spacer sub‐unit cell layer, barriers s s) for are similar. In contrast, a‐direction, which lacks layer is previously overlooked, affects neighboring polar layers, significantly reducing growth. Switching types c‐direction (homogeneous or stepwise) has little effect on overall These distinct characteristics directions predict an 1–2 10‐nm‐thick (Hf,Zr)O film, results.

Language: Английский

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DFSE: Inverse Design of Ferroelectrics from Spatial Symmetry Breaking Evolution

Journal of Chemical Theory and Computation, Journal Year: 2025, Volume and Issue: unknown

Published: May 8, 2025

Discovering new ferroelectric materials is essential to overcoming the limitations of existing compounds, enabling innovative applications, advancing scientific understanding, and promoting environmental sustainability technological progress. Symmetry fundamental existence ferroelectricity, furthermore, ferroelectricity inherently requires breaking spatial inversion symmetry induce spontaneous polarization. In this article, we introduce DFSE (Design Ferroelectrics from Spatial Breaking Evolution), a symmetry-guided inverse design software for in 3D or 2D form with specific element ratios. embodies novel paradigm that systematically induces through controlled breaking. The workflow begins by generating centrosymmetric parent phases (space groups selected mapping table) then introduces targeted atomic displacements break symmetry, including single-atom random axis, two-atom plane displacement patterns fractional quantum ferroelectrics. This symmetry-breaking evolution directly correlated emergence Potential candidates are after verifying influence using first-principles calculations. Tests have been run on multiple systems In2Se3 HfO2 PbTiO3, it has proved highly efficient reliable discovering materials.

Language: Английский

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Sign of the piezoelectric response in double-path ferroelectrics

Physical review. B./Physical review. B, Journal Year: 2025, Volume and Issue: 111(18)

Published: May 9, 2025

Language: Английский

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Efficient moment tensor machine-learning interatomic potential for accurate description of defects in Ni-Al Alloys

Physical Review Materials, Journal Year: 2025, Volume and Issue: 9(5)

Published: May 16, 2025

Language: Английский

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