Widespread Negative Longitudinal Piezoelectric Responses in Ferroelectric Crystals with Layered Structures

Qi, Yubo; Rappe, Andrew M.

doi:10.1103/physrevlett.126.217601

Cited by 56 publications

(45 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This is different from the recently discovered negative piezoelectric coefficient in layered ferroelectrics and wurtzite, where the negative sign comes from e 11 elc . 7 Here it is important to highlight that other 2D piezoelectrics, e.g., the well-known hexagonal boron nitride (h-BN) monolayer 18 and the 1H-VSe 2 monolayer, 6 have negative e 11 ion values but the e 11 elc part dominates, resulting in positive e 11 . Interestingly, we find that h-AlN and h-ZnO monolayers also exhibit negative e 11 values due to large negative e 11 ion values (see Table S1 ).…”

Section: Resultsmentioning

confidence: 99%

“…A piezoelectric stress coefficient ( e ij ), defined as , where ∂ P i is the induced polarization along the i -direction in response to strain ∂ η j along the j -direction, can be split into two contributions: the ionic part, e ij ion , where ions are allowed to move under an applied strain, and the electronic part (also known as the clamped-ion part) e ij elc , where ions are clamped under applied strain. In many bulk materials, including wurtzite nitrides, 7 , 8 e ij elc is negative but is dominated by positive e ij ion , thus resulting in a positive value of e ij . Generally, a positive longitudinal piezoelectric coefficient is expected as a tensile strain is expected to increase the induced electric polarization.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Negative Piezoelectric Coefficient in Ferromagnetic 1H-LaBr₂ Monolayer

Noor‐A‐Alam

Nolan

2022

ACS Appl. Electron. Mater.

View full text Add to dashboard Cite

The discovery of two-dimensional (2D) magnetic materials that have excellent piezoelectric response is promising for nanoscale multifunctional piezoelectric or spintronic devices. Piezoelectricity requires a noncentrosymmetric structure with an electronic band gap, whereas magnetism demands broken time-reversal symmetry. Most of the well-known 2D piezoelectrics, e.g., 1H-MoS 2 monolayer, are not magnetic. Being intrinsically magnetic, semiconducting 1H-LaBr 2 and 1H-VS 2 monolayers can combine magnetism and piezoelectricity. We compare piezoelectric properties of 1H-MoS 2 , 1H-VS 2 , and 1H-LaBr 2 using density functional theory. The ferromagnetic 1H-LaBr 2 and 1H-VS 2 monolayers display larger piezoelectric strain coefficients, namely, d 11 = −4.527 pm/V for 1H-LaBr 2 and d 11 = 4.104 pm/V for 1H-VS 2 , compared to 1H-MoS 2 ( d 11 = 3.706 pm/V). 1H-MoS 2 has a larger piezoelectric stress coefficient ( e 11 = 370.675 pC/m) than 1H-LaBr 2 ( e 11 = −94.175 pC/m) and 1H-VS 2 ( e 11 = 298.100 pC/m). The large d 11 for 1H-LaBr 2 originates from the low elastic constants, C 11 = 30.338 N/m and C 12 = 9.534 N/m. The sign of the piezoelectric coefficients for 1H-LaBr 2 is negative, and this arises from the negative ionic contribution of e 11 , which dominates in 1H-LaBr 2 , whereas the electronic part of e 11 dominates in 1H-MoS 2 and 1H-VS 2 . We explain the origin of this large ionic contribution of e 11 for 1H-LaBr 2 through Born effective charges ( Z 11 ) and the sensitivity of the atomic positions to the strain (d u /dη). We observe a sign reversal in the Z 11 values of Mo and S compared to the nominal oxidation states, which makes both the electronic and ionic parts of e 11 positive and results in the high value of e 11 . We also show that a change in magnetic order can enhance (reduce) the piezoresponse of 1H-LaBr 2 (1H-VS 2 ).

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Negative Piezoelectric Coefficient in Ferromagnetic 1H-LaBr₂ Monolayer

Noor‐A‐Alam

Nolan

2022

ACS Appl. Electron. Mater.

View full text Add to dashboard Cite

show abstract

“…The enhancement of polarization upon the c-axis compression can be contributed by two factors: the first part is the reduced volume, especially for the shrunken soft vdW layer; the second part is the enhanced dipole of each u.c.. The first part was once proposed as the main contribution in CuInP 2 S 6 and other layered ferroelectrics [43][44][45]. However, more interestingly, here the electric dipole of β-ZrI 2 in each u.c.…”

Section: B Ferroelectricity Of β-Zri2mentioning

confidence: 97%

Phase competition and negative piezoelectricity in interlayer-sliding ferroelectric ZrI$_2$

Ding,

Chen,

Gui

et al. 2021

Preprint

View full text Add to dashboard Cite

The so-called interlayer-sliding ferroelectricity was recently proposed as an unconventional route to pursuit electric polarity in van der Waals multi-layers, which was already experimentally confirmed in WTe2 bilayer even though it is metallic. Very recently, another van der Waals system, i.e., the ZrI2 bilayer, was predicted to exhibit the interlayer-sliding ferroelectricity with both in-plane and out-of-plane polarizations [Phys. Rev. B 103, 165420 (2021)]. Here the ZrI2 bulk is studied, which owns two competitive phases (α vs β), both of which are derived from the common parent s-phase. The β-ZrI2 owns a considerable out-of-plane polarization (0.39 µC/cm 2 ), while its inplane component is fully compensated. Their proximate energies provide the opportunity to tune the ground state phase by moderate hydrostatic pressure and uniaxial strain. Furthermore, the negative longitudinal piezoelectricity in β-ZrI2 is dominantly contributed by the enhanced dipole of ZrI2 layers as a unique characteristic of interlayer-sliding ferroelectricity, which is different from many other layered ferroelectrics with negative longitudinal piezoelectricity like CuInP2S6.

show abstract

“…Of those, the transition metal thiophosphates are a promising family of materials that host out-of-plane ferrielectricity (FiE) with large values of polarization [6,11,12]. Further, research efforts in these materials have reported a plethora of properties including negative piezoelectricity, negative electrostriction, large dielectric tunability, and unconventional field-induced switching behavior, all of which depend strongly on the polarization [13][14][15][16][17][18][19][20][21][22][23]. Despite the growing interest, a clear understanding of the origin and stabilization of the polar phase is still lacking in transition metal thiophosphate.…”

Section: Introductionmentioning

confidence: 99%

Anharmonic stabilization of ferrielectricity in CuInP$_2$Se$_6$

Sivadas,

Doak,

Ganesh

2021

Preprint

View full text Add to dashboard Cite

Widespread Negative Longitudinal Piezoelectric Responses in Ferroelectric Crystals with Layered Structures

Cited by 56 publications

References 34 publications

Negative Piezoelectric Coefficient in Ferromagnetic 1H-LaBr₂ Monolayer

Negative Piezoelectric Coefficient in Ferromagnetic 1H-LaBr₂ Monolayer

Phase competition and negative piezoelectricity in interlayer-sliding ferroelectric ZrI$_2$

Anharmonic stabilization of ferrielectricity in CuInP$_2$Se$_6$

Contact Info

Product

Resources

About

Widespread Negative Longitudinal Piezoelectric Responses in Ferroelectric Crystals with Layered Structures

Cited by 56 publications

References 34 publications

Negative Piezoelectric Coefficient in Ferromagnetic 1H-LaBr2 Monolayer

Negative Piezoelectric Coefficient in Ferromagnetic 1H-LaBr2 Monolayer

Phase competition and negative piezoelectricity in interlayer-sliding ferroelectric ZrI$_2$

Anharmonic stabilization of ferrielectricity in CuInP$_2$Se$_6$

Contact Info

Product

Resources

About

Negative Piezoelectric Coefficient in Ferromagnetic 1H-LaBr₂ Monolayer

Negative Piezoelectric Coefficient in Ferromagnetic 1H-LaBr₂ Monolayer