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Strong electron-phonon coupling and predicted highest known $T_{c}$ of MXenes revealed in 2H-Mo$_{2}$N under biaxial stress

Komsilp KotmoolPrutthipong Tsuppayakorn-aekThiti BovornratanaraksThanayut KaewmarayaRajeev AhujaWei Luo
Jul 2022
摘要
Superconducting Mo-based MXenes have been intensively investigated becausethey process the superior $T_c$ values compared to other MXenes. This letterreports the unexpectedly strong electron-phonon coupling (EPC) and the highest$T_c$ record ($\approx$ 52 K) among the MXenes revealed in the 2H-Mo$_2$N underbiaxial stress. At first, its excellent mechanical properties, including highideal strength and elastic modulus, are demonstrated. Subsequently, EPC andcorresponding $T_c$ are elucidated upon the dynamically stable range of strain.For strain-free 2H-Mo$_2$N, the EPC constant ($\lambda$) and $T_c$ are 1.3 and22.7 K, respectively. The material exhibits remarkable enhancement in $\lambda$and $T_c$ when subject to compressive and tensile stresses. The $\lambda$ isapproximately 2.2 at strains of -2.5% and 5%, yielding $T_c$s of 52.1 and 25.3K, respectively. Our findings suggest that the strain-dependent feature andenergy levels of electronic bands play an essential role in enhancing EPC in2H-Mo$_2$N. This work paves the way for designing the MXene-basedsuperconducting materials using strain engineering.
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