Back to Search
Start Over
Exchange Interaction and $T_c$ in Alkaline-earth-metal-oxide-based DMS without Magnetic Impurities: First Principle Pseudo-SIC and Monte Carlo Calculation
- Source :
- J. Phys. Soc. Jpn. 75 (2006) 093705
- Publication Year :
- 2008
-
Abstract
- 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.<br />Comment: 5 pages, 5 figures
Details
- Database :
- arXiv
- Journal :
- J. Phys. Soc. Jpn. 75 (2006) 093705
- Publication Type :
- Report
- Accession number :
- edsarx.0801.2249
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1143/JPSJ.75.093705