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Strain-induced Isostructural and Magnetic Phase Transitions in Monolayer MoN$_2$
- Source :
- Nano Lett.,2016, 16(7),pp 4576-4582
- Publication Year :
- 2016
-
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 MoN$_2$ two-dimensional (2D) material. Based on 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 anti-ferromagnetic. 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 MoN$_2$ material in the nanoscale mechanical, electronic, and spintronic applications.<br />Comment: 21 pages,5 figures
- Subjects :
- Condensed Matter - Materials Science
Subjects
Details
- Database :
- arXiv
- Journal :
- Nano Lett.,2016, 16(7),pp 4576-4582
- Publication Type :
- Report
- Accession number :
- edsarx.1608.05164
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1021/acs.nanolett.6b01841