Doping induced charge redistribution in the high temperature superconductor HgBa2CuO4
| dc.creator | Süle, P. | |
| dc.creator | Ambrosch-Draxl, C. | |
| dc.creator | Auer, H. | |
| dc.creator | Sherman, E. Y. | |
| dc.date | 2001-09-05 | |
| dc.date.accessioned | 2026-07-07T02:42:38Z | |
| dc.date.available | 2026-07-07T02:42:38Z | |
| dc.description | To understand the link between doping and electronic properties in high temperature superconductors, we report first-principles calculations on the oxygen doping effect for the single layer cuprate HgBa$_2$CuO$_{4+δ}$. The doping effect is studied both by supercell and single cell virtual crystal type approaches. We find ionic behavior of the dopant atom up to an optimal doping concentration of $δ=0.22$. The excess oxygen attracts electrons from the CuO$_2$ plane leading to an increase of the hole concentration in this building block. The maximum amount of holes is reached when the oxygen $p$-shell is nearly completely filled. As a consequence the density of states at the Fermi level exhibits a pronounced maximum at the optimal oxygen content. The calculated hole content as a function of doping is in accordance with experimental findings. | |
| dc.description | 4 pages, 4 figures, comments to sule@mfa.kfki.hu | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0109089 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0109089 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/18221 | |
| dc.subject | Superconductivity | |
| dc.title | Doping induced charge redistribution in the high temperature superconductor HgBa2CuO4 | |
| dc.type | text |