TY - JOUR
T1 - Magnetism of iron in face-centered cubic 4d metals
AU - Elzain, M.
AU - Al Rawas, A.
AU - Yousif, A.
AU - Gismelseed, A.
AU - Rais, A.
AU - Al Omari, I.
AU - Widatallah, H.
PY - 2004
Y1 - 2004
N2 - The magnetic moments and hyperfine fields at iron sites embedded in Rh, Pd and Ag face centered cubic structures were calculated using the first principle discrete variational method (DVM) and the full-potential linear-augment plane wave (FP-LAPW) method. In DVM the systems were represented by, clusters of atoms, while in FP-LAPW supercells were used. The objectives of this work are to compare and contrast results from the two different computational methods in addition to comparison to experimental data. Large magnetic moments were obtained for iron in Pd, relatively smaller moments for iron in Ag and smaller moments for iron in Rh. Iron atoms were found to couple ferromagnetically to Pd atoms and antiferromagnetically to Rh. No moment is induced on the Ag atom.
AB - The magnetic moments and hyperfine fields at iron sites embedded in Rh, Pd and Ag face centered cubic structures were calculated using the first principle discrete variational method (DVM) and the full-potential linear-augment plane wave (FP-LAPW) method. In DVM the systems were represented by, clusters of atoms, while in FP-LAPW supercells were used. The objectives of this work are to compare and contrast results from the two different computational methods in addition to comparison to experimental data. Large magnetic moments were obtained for iron in Pd, relatively smaller moments for iron in Ag and smaller moments for iron in Rh. Iron atoms were found to couple ferromagnetically to Pd atoms and antiferromagnetically to Rh. No moment is induced on the Ag atom.
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U2 - 10.1002/pssc.200304401
DO - 10.1002/pssc.200304401
M3 - Article
AN - SCOPUS:3042714521
SN - 1610-1634
VL - 1
SP - 1796
EP - 1799
JO - Physica Status Solidi C: Conferences
JF - Physica Status Solidi C: Conferences
IS - 7
ER -