TY - JOUR
T1 - Atomic structures and magnetic behavior of Mn clusters
AU - Briere, Tina M.
AU - Sluiter, Marcel H.F.
AU - Kumar, Vijay
AU - Kawazoe, Yoshiyuki
PY - 2002
Y1 - 2002
N2 - The structures and magnetic properties of Mn clusters containing 13, 15, 19, and 23 atoms have been predicted from ab initio electronic structure calculations. The lowest energy structures of the 13-, 19-, and 23-atom clusters are icosahedral and have ordered spin configurations in which blocks of ferromagnetically coupled spins are antiferromagnetically coupled with each other. The 15-atom cluster is body-centered cubic with antiferromagnetic coupling. The net moments are small and lie in the range of (formula presented) however, the average local atomic moments have high values close to (formula presented) These results are discussed in light of recent Stern-Gerlach experiments.
AB - The structures and magnetic properties of Mn clusters containing 13, 15, 19, and 23 atoms have been predicted from ab initio electronic structure calculations. The lowest energy structures of the 13-, 19-, and 23-atom clusters are icosahedral and have ordered spin configurations in which blocks of ferromagnetically coupled spins are antiferromagnetically coupled with each other. The 15-atom cluster is body-centered cubic with antiferromagnetic coupling. The net moments are small and lie in the range of (formula presented) however, the average local atomic moments have high values close to (formula presented) These results are discussed in light of recent Stern-Gerlach experiments.
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U2 - 10.1103/PhysRevB.66.064412
DO - 10.1103/PhysRevB.66.064412
M3 - Article
AN - SCOPUS:84967636557
SN - 1098-0121
VL - 66
SP - 1
EP - 6
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 6
ER -