Coexistence of intrinsic piezoelectricity and ferromagnetism induced by small biaxial strain in septuple-atomic-layer VSi₂P₄

Abstract

The septuple-atomic-layer $\mathrm{VSi_2P_4}$ with the same structure of experimentally synthesized $\mathrm{MoSi_2N_4}$ is predicted to be a spin-gapless semiconductor (SGS) with generalized gradient approximation (GGA). In this work, the biaxial strain...

Vertical Strain-Induced Modification of the Electrical and Spin Properties of Monolayer MoSi2X4 (X= N, P, As and Sb)

“…The lattice constant of MoSi 2 N 4 is 2.928 Å that is close to experimental result 9 . The lattice constants of MoSi 2 P 4 and MoSi 2 As 4 are also 3.486 and 3.633 Å, respectively, that are compatible with previous studies 18,24 . The lattice constant increases for the compounds with heavier X elements.…”

“…The bandgap of MoSi 2 P 4 without(with) SOC is 0.772(0.648) eV that is near to 0.61 eV reported for with SOC 18 . The bandgap of MoSi 2 As 4 decreases from 0.664 to 0.525eV with applying spin-orbit coupling, while the values of 0.6eV and 0.41-0.5 eV are reported for without and with spin-orbit coupling consideration, respectively 9,18,24,30 . The SOC has more significant effects on the heavier compounds so that the bandgap reduces by 0.172 eV for MoSi 2 Sb 4 with applying SOC.…”

Novel Two-Dimensional Layered MoSi2Z4 (Z = P, As): New Promising Optoelectronic Materials

“…By tuning biaxial in-plane strain to monolayer VSi 2 P 4 , a continuous phase transition can be occurred from a ferromagnetic metal to a spin-gapless semiconductor to a ferromagnetic semiconductor to spin-gapless semiconductor to a ferromagnetic half-metal. At the ferromagnetic semiconductor phase, ferromagnetism and piezoelectricity can exist together due to broken inversion symmetry [21]. The van der Waals hetero-structures composed of MoSi 2 N 4 contacted by graphene and NbS 2 monolayers were predicted to exhibit ultra-low Schottky barrier height, which can be modulated via the interlayer distance or external electric field [22].…”

Tunable electronic and magnetic properties of MoSi2N4 monolayer via vacancy defects, atomic adsorption and atomic doping

“…The high thermal conductivity of the MoSi 2 N 4 is investigated [56]. The piezoelectricity and ferromagnetism can be induced by a small strain in the VSi 2 X 4 (X=N, P) monolayer [57]. Moreover, the electronic and optical properties of the MoSi 2 N 4 /MoS 2 vdW heterostructure have been studied [58].…”