| Full text | |
| Author(s): |
Pereira, Zenner S.
;
Faccin, Giovani M.
;
da Silva, E. Z.
Total Authors: 3
|
| Document type: | Journal article |
| Source: | NANOSCALE; v. 14, n. 24, p. 8-pg., 2022-05-12. |
| Abstract | |
Superconductivity in low dimensional materials and 2D electrides are topics of great interest with possible applications in next generation electronic devices. Using density functional theory (DFT) associated with Migdal-Eliashberg approach and maximally localized Wannier functions this study shows how biaxial strain affects superconductivity in a monolayer of Mo2N. Results indicate that 2D Mo2N presents strong electron-phonon coupling with large anisotropy in the superconducting energy gap. It is also proposed that, at low temperatures, a single layer of Mo2N becomes an electride with localized electron gas pockets on the surface, resembling anions adsorbed on an atomic sheet. Calculations point to T-c = 24.7 K, a record high transition temperature for this class of material at ambient pressure. Furthermore, it is shown that when biaxial strain is applied to a superconducting Mo2N monolayer, a new superconductivity gap starts at 2% strain and is enhanced by continuum strain, opening additional coupling channels. (AU) | |
| FAPESP's process: | 17/26105-4 - Multi-user equipment approved in grant 2016/23891-6 high performace computational cluster |
| Grantee: | Alex Antonelli |
| Support Opportunities: | Multi-user Equipment Program |
| FAPESP's process: | 16/23891-6 - Computer modeling of condensed matter |
| Grantee: | Alex Antonelli |
| Support Opportunities: | Research Projects - Thematic Grants |