Title :
Calculations of impurity doping effects in CrO2
Author :
Suzuki, Katsuhiko ; Abe, Hiroyuki
Author_Institution :
Dept. of Integrated Arts & Sci., Miyagi Nat. Coll. of Technol., Natori, Japan
Abstract :
The effects of impurity doping in CrO2 have been calculated based on the Cr9O40 cluster using the method of DV-X α molecular orbital calculation. Elements (Mo, W) belonging to the same family as Cr and the ones (Zr, Ru, Sn) whose dioxides have the same crystalline structure as the rutile were selected for impurity doping. The calculated results show the large enhancements of the magnetic moment and the Curie temperature by the doping of Zr and Ru, respectively.
Keywords :
Curie temperature; chromium compounds; doping; ferromagnetic materials; magnetic impurities; magnetic moments; orbital calculations; Cr9O40; CrO2; Curie temperature; band calculation; impurity doping effects; magnetic moment enhancement; molecular orbital calculation; Chromium; Crystallization; Doping; Impurities; Magnetic moments; Orbital calculations; Temperature; Tin; Tunneling magnetoresistance; Zirconium; Band calculation; Curie temperature; half metal; impurity doping;
Journal_Title :
Magnetics, IEEE Transactions on
DOI :
10.1109/TMAG.2005.854801
