Electronic Structure and Electron-Phonon Interaction in Hexagonal Yttrium
| dc.creator | Singh, Prabhakar P. | |
| dc.date | 2006-07-06 | |
| dc.date | 2006-12-27 | |
| dc.date.accessioned | 2026-07-07T07:37:10Z | |
| dc.date.available | 2026-07-07T07:37:10Z | |
| dc.description | To understand the pressure-induced changes in the electronic structure and the electron-phonon interaction in yttrium, we have studied hexagonal close-packed (hcp) yttrium, stable at ambient pressure and double hexagonal close-packed (dhcp) yttrium, stable up to around 44 GPa, using density-functional-based methods. Our results show that as one goes from hcp yttrium to dhcp yttrium, there is (i) a substantial charge-transfer from s->d with extensive modifications of the d-band and a sizable reduction in the density of states at the Fermi energy, (ii) a substantial stiffening of phonon modes with the electron-phonon coupling covering the entire frequency range, (iii) an increase in the electron-phonon coupling constant λfrom 0.55 to 1.24, leading to a change in the superconducting transition temperature T_c from 0.3 K to 15.3 K for μ*=0.2. | |
| dc.description | 8 pages, 7 figures, Added linear-response calculations using full-potential LMTO method | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0607176 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0607176 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/120681 | |
| dc.subject | Superconductivity | |
| dc.subject | Materials Science | |
| dc.title | Electronic Structure and Electron-Phonon Interaction in Hexagonal Yttrium | |
| dc.type | text |