Physics – Condensed Matter – Materials Science
Scientific paper
2005-08-22
Applied Physics Letters 88, 122501 (3 pages) (2006)
Physics
Condensed Matter
Materials Science
To appear in Applied Phyiscs Letters
Scientific paper
10.1063/1.2188036
The effect of microscopic Mn cluster distribution on the Curie temperature (Tc) is studied using density-functional calculations. We find that the calculated Tc depends crucially on the microscopic cluster distribution, which can explain the abnormally large variations in experimental Tc values from a few K to well above room temperature. The partially dimerized Mn_2-Mn_1 distribution is found to give the highest Tc > 500 K, and in general, the presence of the Mn_2 dimer has a tendency to enhance Tc. The lowest Tc values close to zero are obtained for the Mn_4-Mn_1 and Mn_4-Mn_3 distributions.
Ayuela Andres
Boehm Juhani von
Hynninen Teemu
Raebiger Hannes
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