| Texto completo | |
| Autor(es): |
Pereira, Zenner S.
;
Faccin, Giovani M.
;
da Silva, E. Z.
Número total de Autores: 3
|
| Tipo de documento: | Artigo Científico |
| Fonte: | NANOSCALE; v. 14, n. 24, p. 8-pg., 2022-05-12. |
| Resumo | |
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) | |
| Processo FAPESP: | 17/26105-4 - EMU concedido no processo 2016/23891-6 cluster computacional de alto desempenho |
| Beneficiário: | Alex Antonelli |
| Modalidade de apoio: | Auxílio à Pesquisa - Programa Equipamentos Multiusuários |
| Processo FAPESP: | 16/23891-6 - Modelagem computacional da matéria condensada |
| Beneficiário: | Alex Antonelli |
| Modalidade de apoio: | Auxílio à Pesquisa - Temático |