Phase competition and negative piezoelectricity in interlayer-sliding ferroelectric 
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Ding, Ning; Gui, Churen; You, Haipeng; Yao, Xincheng; Dong, Shuai

doi:10.1103/physrevmaterials.5.084405

Cited by 25 publications

(15 citation statements)

References 47 publications

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“…Recently, Wu et al proposed the concept of interfacial ferroelectricity in 2D van der Waals (vdW) materials, which could generate sizable out-of-plane dipole moments ( D z ) in multilayer forms that are non-ferroelectric in their monolayer counterparts. , The flipping of D z (between D false↑ and D false↓ ) can be done via a short distance shuffling or sliding between neighboring vdW layers. Hence, they are referred to as sliding ferroelectric (SFE) materials. − Owing to the low energy barrier (∼0.1 μJ/cm 2 ) separating the D false↑ and D false↓ states, the flipping could occur in an ultrafast kinetics with high contrast. This motivates various experimental investigations after the theoretical predictions, and several SFEs have been demonstrated in h- BN and H/T′ phase of transition metal dichalcogenides, etc. , …”

Section: Geometric and Electronic Properties Of Msfesmentioning

confidence: 99%

“…Hence, they are referred to as sliding ferroelectric (SFE) materials. [23][24][25][26] Owing to the low energy barrier (~0.1 μJ/cm 2 ) separating the 𝐷 ↑ and 𝐷 ↓ states, the flipping could occur in an ultrafast kinetics with high contrast. This motivates various experimental investigations after the theoretical predictions, and several SFEs have been demonstrated in h-BN, H and T′ phases of transition metal dichalcogenides, etc.…”

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confidence: 99%

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Tailoring Bulk Photovoltaic Effects in Magnetic Sliding Ferroelectric Materials

2022

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The bulk photovoltaic effect that is intimately associated with crystalline symmetry has been extensively studied in various nonmagnetic materials, especially ferroelectrics with a switchable electric polarization. In order to further engineer the symmetry, one could resort to spin-polarized systems possessing an extra magnetic degree of freedom. Here, we investigate the bulk photovoltaic effect in two-dimensional magnetic sliding ferroelectric (MSFE) systems, illustrated in VSe2, FeCl2, and CrI3 bilayers. The transition metal elements in these systems exhibit intrinsic spin polarization, and the stacking mismatch between the two layers produce a finite out-of-plane electric dipole.Through symmetry analyses and first-principles calculations, we show that photoinduced in-plane bulk photovoltaic current can be effectively tuned by their magnetic order and the out-of-plane dipole moment. The underlying mechanism is elucidated from the quantum metric dipole distribution in the reciprocal space. The ease of the fabrication and manipulation of MSFEs guarantee practical optoelectronic applications.

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Section: Geometric and Electronic Properties Of Msfesmentioning

confidence: 99%

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confidence: 99%

Tailoring Bulk Photovoltaic Effects in Magnetic Sliding Ferroelectric Materials

2022

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“…It was also concluded that the internal strain contribution is responsible for the sign of the longitudinal piezoelectric coefficient. NLPE was recently predicted in interlayer-sliding ferroelectric ZrI 2 , 12 while NLPE arising from the negative ionic contribution was also predicted for the ferromagnetic 1H-LaBr 2 monolayer. 13 Interestingly, a majority of the aforementioned predictions and experimental demonstrations involve inorganic compounds.…”

Section: ■ Introductionmentioning

confidence: 79%

Negative Longitudinal Piezoelectricity Coexisting with both Negative and Positive Transverse Piezoelectricity in a Hybrid Formate Perovskite

Ghosh

Lisenkov

Ponomareva

2022

ACS Appl. Mater. Interfaces

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Negative longitudinal piezoelectric response is a rare property, which has been found mostly in inorganic materials. We use first-principles density functional theory simulations to predict such an unusual response in [NH2NH3]Co(HCOO)3 a representative of a large family of hybrid organic–inorganic formate perovskites. A feature that sets aside [NH2NH3]Co(HCOO)3 from inorganic compounds with a negative longitudinal piezoelectric response is that this rare property coexists with both negative and positive transverse piezoelectric responses, which is highly desirable for tunable applications. Atomistic analysis reveals that this unusual electromechanical coupling originates from the high anisotropy of materials response to uniaxial stress. Such a deformation produces oxygen octahedral tilts in the framework, whose magnitude depends strongly on the direction of the applied strain. For hard directions, the tilts make the dominant contribution to the deformation-induced change in polarization, while for the softer direction, it is the tilts of the NH2NH3 + cation that dominate the polarization response. The latter occur as the complex hydrogen bond network responds to the octahedral tilts. As high anisotropy of mechanical properties is a common feature across the formate perovskites, we expect our findings to stimulate more discoveries of unusual electromechanical couplings in this family.

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“…Since the first experimental discovery of ferroelectricity in Rochelle salt [1], in the past hundred years, for the perspective of application in sensors, actuators and memories, a wide range of ferroelectric (FE) materials have been intensively studied, such as the well known three dimensional (3D) BaTiO 3 [2]. Interest in new, lowdimensional ferroelectrics has also been growing rapidly due to their potential applications in electronics, such as recently emerged ferroelectric two-dimensional (2D) layered structures including group-VI monochalcogenides, In 2 Se 3 , CuInP 2 S 6 , etc [3][4][5][6][7][8][9][10][11][12][13][14][15][16]. Besides these intrinsic 2D FE materials, ferroelectricity can be also induced in non-FE 2D system through doping, manipulating defects and also fabricating heterojunctions.…”

Section: Introductionmentioning

confidence: 99%

Ferroelectricity induced by the absorption of water molecules on double helix SnIP

et al. 2023

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We study the ferroelectricity in a one-dimensional system composed of a double helix SnIP with absorbing water molecules. Our ab initio calculations reveal two factors that are critical to the electrical polarization. The first one is the orientation of polarized water molecules staying in the R2 region of SnIP. The second one is the displacement of I atom which roots from subtle interaction with absorbed water molecules. A reasonable scenario of polarization flipping is proposed in this study. In the scenario, the water molecule is rolling-up with keeping the magnitude of its electrical dipole and changing its direction, meanwhile, the displacement of I atoms is also reversed. Highly tunable polarization can be achieved by applying strain, with 26.5% of polarization enhancement by applying tensile strain, with only 4% degradation is observed with 4% compressive strain. Finally, the direct band gap is also found to be correlated with strain.

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Phase competition and negative piezoelectricity in interlayer-sliding ferroelectric ZrI2

Cited by 25 publications

References 47 publications

Tailoring Bulk Photovoltaic Effects in Magnetic Sliding Ferroelectric Materials

Tailoring Bulk Photovoltaic Effects in Magnetic Sliding Ferroelectric Materials

Negative Longitudinal Piezoelectricity Coexisting with both Negative and Positive Transverse Piezoelectricity in a Hybrid Formate Perovskite

Ferroelectricity induced by the absorption of water molecules on double helix SnIP

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