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Nonlinear elasticity and strain-tunable magnetocalorics of antiferromagnetic monolayer MnPS3

时间:2022-11-25来源:国际前沿科学研究院点击:303

MingXue, Weiwei He, Qihua Gong, Min Yi, Wanlin Guo.

Extreme Mechanics Letters2022, 101900



Abstract: 

The nonlinear elasticity and strain-tunable magnetocaloric effect (MCE) of antiferromagnetic monolayer MnPS3 are demonstrated by multiscale modeling and simulations. A continuum constitutive model expanding the elastic strain energy density by a Taylor series is formulated to describe the nonlinear and large-deformation elasticity of monolayer MnPS3Fourteen independent elastic constants of the model are determined using the ab initio results. The nonlinear behavior is found to initiate at about 7% strain and nearly isotropic before the rupture. MCE (adiabatic temperature change ΔT and isothermal entropy change ΔS) of monolayer MnPS3 is found anisotropic due to the anisotropy in the temperature derivative of magnetic susceptibility, i.e. stronger in-plane MCE. An in-plane biaxial strain could improve MCE by a factor of 1.5–2. The maximum  ΔS and ΔToccur at around 10 K and are evaluated as 2.8 μJ m−2 K−1 and 2.2 K, respectively, suggesting monolayer MnPS3 as a potential candidate for low-temperature (¡ 20 K) magnetic refrigeration.



Link: https://doi.org/10.1016/j.eml.2022.101900




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