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• W2433264119 abstract "The change of bonding status, typically occurring only in chemical processes, could dramatically alter the material properties. Here, we show that a tunable breaking and forming of a diatomic bond can be achieved through physical means, i.e., by a moderate biaxial strain, in the newly discovered MoN2 two-dimensional (2D) material. On the basis of first-principles calculations, we predict that as the lattice parameter is increased under strain, there exists an isostructural phase transition at which the N–N distance has a sudden drop, corresponding to the transition from a N–N nonbonding state to a N–N single bond state. Remarkably, the bonding change also induces a magnetic phase transition, during which the magnetic moments transfer from the N(2p) sublattice to the Mo(4d) sublattice; meanwhile, the type of magnetic coupling is changed from ferromagnetic to antiferromagnetic. We provide a physical picture for understanding these striking effects. The discovery is not only of great scientific interest in exploring unusual phase transitions in low-dimensional systems, but it also reveals the great potential of the 2D MoN2 material in the nanoscale mechanical, electronic, and spintronic applications." @default.
• W2433264119 created "2016-06-24" @default.
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• W2433264119 date "2016-06-20" @default.
• W2433264119 modified "2023-10-15" @default.
• W2433264119 title "Strain-Induced Isostructural and Magnetic Phase Transitions in Monolayer MoN₂" @default.
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• W2433264119 doi "https://doi.org/10.1021/acs.nanolett.6b01841" @default.
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