Abstract
First principles full-potential linearized augmented plane wave (FLAPW) calculations and Monte Carlo simulations were performed to determine the magnetic structures in Mn-doped transition metal chalcogenides, Cr1-x Mnx Se and Cr1-x Mnx Te, with the zincblende structure. A ferrimagnetic structure with excellent half-metallicity appears in the Mn 0.25 composition, where the Mn moments tend to align in an opposite orientation to the Cr moments so as to retain the half-metallicity, and the half-metallic gap is enhanced. Here, the Cr0.75 Mn0.25 Se alloy is predicted as a promising candidate as a high Curie temperature half-metallic ferrimagnet, with the tendency toward an atomic ordering of Cr and Mn atoms, that may be feasible in epitaxial growth that is thick enough for spintronic applications.
| Original language | English |
|---|---|
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 72 |
| Issue number | 6 |
| DOIs | |
| Publication status | Published - Aug 1 2005 |
Fingerprint
ASJC Scopus subject areas
- Condensed Matter Physics
Cite this
Half-metallic ferrimagnetism in zincblende Mn-doped transition metal chalcogenides. / Nakamura, Kohji; Ito, Tomonori; Freeman, Arthur J.
In: Physical Review B - Condensed Matter and Materials Physics, Vol. 72, No. 6, 01.08.2005.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Half-metallic ferrimagnetism in zincblende Mn-doped transition metal chalcogenides
AU - Nakamura, Kohji
AU - Ito, Tomonori
AU - Freeman, Arthur J
PY - 2005/8/1
Y1 - 2005/8/1
N2 - First principles full-potential linearized augmented plane wave (FLAPW) calculations and Monte Carlo simulations were performed to determine the magnetic structures in Mn-doped transition metal chalcogenides, Cr1-x Mnx Se and Cr1-x Mnx Te, with the zincblende structure. A ferrimagnetic structure with excellent half-metallicity appears in the Mn 0.25 composition, where the Mn moments tend to align in an opposite orientation to the Cr moments so as to retain the half-metallicity, and the half-metallic gap is enhanced. Here, the Cr0.75 Mn0.25 Se alloy is predicted as a promising candidate as a high Curie temperature half-metallic ferrimagnet, with the tendency toward an atomic ordering of Cr and Mn atoms, that may be feasible in epitaxial growth that is thick enough for spintronic applications.
AB - First principles full-potential linearized augmented plane wave (FLAPW) calculations and Monte Carlo simulations were performed to determine the magnetic structures in Mn-doped transition metal chalcogenides, Cr1-x Mnx Se and Cr1-x Mnx Te, with the zincblende structure. A ferrimagnetic structure with excellent half-metallicity appears in the Mn 0.25 composition, where the Mn moments tend to align in an opposite orientation to the Cr moments so as to retain the half-metallicity, and the half-metallic gap is enhanced. Here, the Cr0.75 Mn0.25 Se alloy is predicted as a promising candidate as a high Curie temperature half-metallic ferrimagnet, with the tendency toward an atomic ordering of Cr and Mn atoms, that may be feasible in epitaxial growth that is thick enough for spintronic applications.
UR - http://www.scopus.com/inward/record.url?scp=33644537973&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33644537973&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.72.064449
DO - 10.1103/PhysRevB.72.064449
M3 - Article
AN - SCOPUS:33644537973
VL - 72
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 6
ER -