Small strain induced large piezoelectric coefficient in α-AsP monolayer

Guo, San‐Dong; Guo, Xiao-Shu; Zhang, Ya-Ying; Luo, Kui

doi:10.1016/j.jallcom.2019.153577

Cited by 37 publications

(34 citation statements)

References 35 publications

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“…It is proved that the electronic structures, topological properties, transport and piezoelectric properties of 2D materials can be effectively tuned by strain [15][16][17][18][19][20][21][22][23]36 . The biaxial strain can be simulated by a/a 0 or (a − a 0 )/a 0 , where a and a 0 are the strained and unstrained lattice constant, respectively.…”

Section: Electronic Structuresmentioning

confidence: 99%

“…Their electronic structures, heat transport and piezoelectric properties have been widely investigated [6][7][8][9][10][11][12][13][14][15][16] . It has been proved that the strain can effectively tune electronic structures, transport and piezoelectric properties of 2D materials [15][16][17][18][19][20][21][22][23] , which shows great potential for better use in the nanoelectronic, thermoelectric and piezoelectric applications. For example, both compressive and tensile strain can induce the semiconductor to metal transition in monolayer MoS 2 17 .…”

Section: Introductionmentioning

confidence: 99%

“…With increased tensile strain, the lattice thermal conductivity shows monotonous decrease, up-and-down and jump behavior with similar penta-structures 19 . Strain can also improve the piezoelectric strain coefficient by tuning the elastic and piezoelectric stress coefficients [20][21][22][23] .…”

Section: Introductionmentioning

confidence: 99%

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Tuning the electronic structures and transport coefficients of Janus PtSSe monolayer with biaxial strain

Guo

Deng

2019

Journal of Applied Physics

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Due to their great potential in electronics, optoelectronics and piezoelectronics, Janus transition metal dichalcogenide (TMD) monolayers have attracted increasing research interest, the MoSSe of which with sandwiched S-Mo-Se structure has been synthesized experimentally. In this work, the biaxial strain dependence of electronic structures and transport properties of Janus PtSSe monolayer is systematically investigated by using generalized gradient approximation (GGA) plus spin-orbit coupling (SOC). Calculated results show that SOC has a detrimental effect on power factor of PtSSe monolayer, which can be understood by considering SOC effects on energy bands near the Fermi level. With a/a0 from 0.94 to 1.06, the energy band gap firstly increases, and then decreases, which is due to the position change of conduction band minimum (CBM). It is found that compressive strain can increase the strength of conduction bands convergence by changing relative position of conduction band extrema (CBE), which can enhance n-type ZTe values. Calculated results show that compressive strain can also induce the flat valence bands around the Γ point near the Fermi level, which can lead to high Seebeck coefficient due to large effective masses, giving rise to better p-type ZTe values. The calculated elastic constants with a/a0 from 0.94 to 1.06 all satisfy the mechanical stability criteria, which proves that the PtSSe monolayer is mechanically stable in the considered strain range. Our works further enrich studies of Janus TMD monolayers, and can motivate farther experimental works.

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Section: Electronic Structuresmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Tuning the electronic structures and transport coefficients of Janus PtSSe monolayer with biaxial strain

Guo

Deng

2019

Journal of Applied Physics

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“…On the basis of the elastic constants, the Young's modulus, shear modulus, and Poisson's ratio along the in-plane can be expressed as follows: 45 where A = ( C 11 C 22 – C 12 2 )/ C 66 – 2 C 12 and B = C 11 + C 22 – ( C 11 C 22 – C 12 2 )/ C 66 . The calculated results show that the Young's modulus, shear modulus, and Poisson's ratio of 2D Ga 2 O 3 (100) are strongly anisotropic, which provides the possibility of tuning the material strength along the in-plane direction.…”

Section: Resultsmentioning

confidence: 99%

A novel 2D material with intrinsically low thermal conductivity of Ga₂O₃(100): first-principles investigations

Zhai¹,

Li²,

Zhao³

et al. 2022

Phys. Chem. Chem. Phys.

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“…It have been proved that strain engineering can effectively tune piezoelectric properties of 2D materials [48][49][50][51] , and then we investigate the strain effects on piezoelectric properties of monolayer GdCl 2 . The elastic constants (C 11 , C 12 and C 11 -C 12 ), piezoelectric stress coefficients (e 11 ) along the ionic and electronic contributions, and piezoelectric strain coefficients (d 11 ) of monolayer GdCl 2 as a function of a/a 0 are plotted in Figure 9.…”

Section: Strain Effectsmentioning

confidence: 99%

A possible way to achieve anomalous valley Hall effect by piezoelectric effect in $\mathrm{GdCl_2}$ monolayer

Guo,

Zhu,

et al. 2021

Preprint

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Ferrovalley materials can achieve manipulation of the valley degree of freedom with intrinsic spontaneous valley polarization introduced by their intrinsic ferromagnetism. A good ferrovalley material should possess perpendicular magnetic anisotropy (PMA), valence band maximum (VBM)/conduction band minimum (CBM) at valley points, strong ferromagnetic (FM) coupling and proper valley splitting. In this work, the monolayer GdCl2 is proposed as a potential candidate material for valleytronic applications by the first-principles calculations. It is proved that monolayer GdCl2 is a FM semiconductor with the easy axis along out of plane direction and strong FM coupling. A spontaneous valley polarization with a valley splitting of 42.3 meV is produced due to its intrinsic ferromagnetism and spin orbital coupling (SOC). Although the VBM of unstrained monolayer GdCl2 is away from valley points, a very small compressive strain (about 1%) can make VBM move to valley points. We propose a possible way to realize anomalous valley Hall effect in monolayer GdCl2 by piezoelectric effect, not an external electric field, namely piezoelectric anomalous valley Hall effect (PAVHE). This phenomenon could be classified as piezo-valleytronics, being similar to piezotronics and piezophototronics. The only independent piezoelectric strain coefficient d11 is -2.708 pm/V, which is comparable to one of classical bulk piezoelectric material α-quartz (d11=2.3 pm/V). The biaxial in-plane strain and electronic correlation effects are considered to confirm the reliability of our results. Finally, the monolayer GdF2 is predicted to be a ferrovalley material with dynamic and mechanical stabilities, PMA, VBM at valley points, strong FM coupling, valley splitting of 47.6 meV, and d11 of 0.584 pm/V. Our works provide a possible way to achieve anomalous valley Hall effect by piezoelectric effect, which may stimulate further experimental works related with valleytronics.

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Small strain induced large piezoelectric coefficient in α-AsP monolayer

Cited by 37 publications

References 35 publications

Tuning the electronic structures and transport coefficients of Janus PtSSe monolayer with biaxial strain

Tuning the electronic structures and transport coefficients of Janus PtSSe monolayer with biaxial strain

A novel 2D material with intrinsically low thermal conductivity of Ga₂O₃(100): first-principles investigations

A possible way to achieve anomalous valley Hall effect by piezoelectric effect in $\mathrm{GdCl_2}$ monolayer

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Small strain induced large piezoelectric coefficient in α-AsP monolayer

Cited by 37 publications

References 35 publications

Tuning the electronic structures and transport coefficients of Janus PtSSe monolayer with biaxial strain

Tuning the electronic structures and transport coefficients of Janus PtSSe monolayer with biaxial strain

A novel 2D material with intrinsically low thermal conductivity of Ga2O3(100): first-principles investigations

A possible way to achieve anomalous valley Hall effect by piezoelectric effect in $\mathrm{GdCl_2}$ monolayer

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A novel 2D material with intrinsically low thermal conductivity of Ga₂O₃(100): first-principles investigations