Coexistence of intrinsic piezoelectricity and ferromagnetism induced by small biaxial strain in septuple-atomic-layer $\mathrm{VS}{\mathrm{i}}_2{\mathrm{P}}_4$

Abstract

The septuple-atomic-layer $\mathrm{VS}{\mathrm{i}}_2{\mathrm{P}}_4$ with the same structure of experimentally synthesized $\mathrm{MoS}{\mathrm{i}}_2{\mathrm{N}}_4$ is predicted to be a spin-gapless semiconductor (SGS). In this work, the biaxial strain is applied to tune electronic properties of $\mathrm{VS}{\mathrm{i}}_2{\mathrm{P}}_4$, and it spans a wide range of properties upon the increasing strain from ferromagnetic metal (FMM) to SGS to ferromagnetic semiconductor (FMS) to SGS to ferromagnetic half-metal (FMHM). Due to broken inversion symmetry, the coexistence of ferromagnetism and piezoelectricity can be achieved in FMS $\mathrm{VS}{\mathrm{i}}_2{\mathrm{P}}_4$ with strain range of 0\% to 4\%. The calculated piezoelectric strain coefficients $d_{11}$ for 1\%, 2\% and 3\% strains are 4.61 pm/V, 4.94 pm/V and 5.27 pm/V, respectively, which are greater than or close to a typical value of 5 pm/V for bulk piezoelectric materials. Finally, similar to $\mathrm{VS}{\mathrm{i}}_2{\mathrm{P}}_4$, the coexistence of piezoelectricity and ferromagnetism can be realized by strain in the $\mathrm{VS}{\mathrm{i}}_2{\mathrm{N}}_4$ monolayer. Our works show that $\mathrm{VS}{\mathrm{i}}_2{\mathrm{P}}_4$ in FMS phase with intrinsic piezoelectric properties can have potential applications in spin electronic devices.

6 pages,7 figures

References in corpus (1)

• Large piezoelectric coefficients combined with high electron mobilities in Janus monolayer XTeI (X=Sb and Bi): a first-principle study

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