HfO$_2$: a new direction for intrinsic defect driven ferromagnetism
| dc.creator | Pemmaraju, Chaitanya Das | |
| dc.creator | Sanvito, S. | |
| dc.date | 2005-02-09 | |
| dc.date.accessioned | 2026-07-07T03:03:41Z | |
| dc.date.available | 2026-07-07T03:03:41Z | |
| dc.description | In view of the recent experimental reports of unexpected ferromagnetism in HfO$_{2}$ thin films, we carried out first principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of intrinsic point defects. {\it Ab initio} electronic structure calculations using density functional theory (DFT) show that isolated cation vacancy sites in HfO$_{2}$ lead to the formation of high spin defect states. Furthermore these appear to be ferromagnetically coupled with a rather short range magnetic interaction, resulting in a ferromagnetic ground state for the whole system. More interestingly, the occurrence of these high spin states and ferromagnetism is in the low symmetry monoclinic phase of HfO$_{2}$. This is radically different from other systems previously known to exhibit point defect ferromagnetism, warranting a closer look at the phenomenon. | |
| dc.description | 4 pages, 6 figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0502246 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0502246 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/25843 | |
| dc.subject | Materials Science | |
| dc.subject | Strongly Correlated Electrons | |
| dc.title | HfO$_2$: a new direction for intrinsic defect driven ferromagnetism | |
| dc.type | text |