Exchange Interaction and $T_c$ in Alkaline-earth-metal-oxide-based DMS without Magnetic Impurities: First Principle Pseudo-SIC and Monte Carlo Calculation
| dc.creator | Dinh, Van An | |
| dc.creator | Toyoda, Masayuki | |
| dc.creator | Sato, Kazunori | |
| dc.creator | Katayama-Yoshida, Hiroshi | |
| dc.date | 2008-01-15 | |
| dc.date.accessioned | 2026-07-07T08:54:32Z | |
| dc.date.available | 2026-07-07T08:54:32Z | |
| dc.description | The prospects of half-metallic ferromagnetism being induced by the incorporation of C atoms into alkaline-earth-metal-oxides are investigated by the first principle calculation. The origin of the ferromagnetism is discussed through the calculation of the electronic structure and exchange coupling constant by using the pseudo-potential-like self-interaction-corrected local spin density method. The Curie temperature ($T_c$) is also predicted by employing the Monte Carlo simulation. It is shown that by taking the electron self-interaction into account, the half-metallic ferromagnetism induced by C in the host materials is more stabilized in comparison with the standard LDA case, and the C's $2p$ electron states in the bandgap become more localized resulting in the predominance of the short-ranged exchange interaction. While the ferromagnetism in MgO$_{1-x}$C$_x$ is stabilized due to the exchange interaction of the $1st$-nearest neighbor pairs and might be suppressed by the anti-ferromagnetic super-exchange interaction at higher $x$, the ferromagnetism in CaO$_{1-x}$C$_x$, SrO$_{1-x}$C$_x$, and BaO$_{1-x}$C$_x$ is stabilized by both the $1st$- and $2nd$-nearest neighbor pairs, and $T_c$ monotonously increases with the C concentration. | |
| dc.description | 5 pages, 5 figures | |
| dc.identifier | https://arxiv.org/abs/0801.2249 | |
| dc.identifier | http://arxiv.org/abs/0801.2249 | |
| dc.identifier | J. Phys. Soc. Jpn. 75 (2006) 093705 | |
| dc.identifier | doi:10.1143/JPSJ.75.093705 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/145970 | |
| dc.subject | Materials Science | |
| dc.subject | Disordered Systems and Neural Networks | |
| dc.title | Exchange Interaction and $T_c$ in Alkaline-earth-metal-oxide-based DMS without Magnetic Impurities: First Principle Pseudo-SIC and Monte Carlo Calculation | |
| dc.type | text |