Calculation of spin and orbital magnetizations in Fe slab systems at finite temperature

R. Garibay-Alonso*, M. Reyes-Reyes, Efraín Urrutia-Bãuelos, R. López-Sandoval

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


The temperature dependence of spin and orbital local magnetizations is theoretically determined for the non-bulk atomic region of (001) and (110) Fe slab systems. A d band Hamiltonian, including spin-orbit coupling terms, was used to model the slabs, which were emulated by using Fe films of sufficient thickness to reach a bulk behavior at their most inner atomic layers. The temperature effects were considered within the static approximation and a simple mean field theory was used to integrate the local magnetic moment and charge thermal fluctuations. The results reflect a clear interplay between electronic itinerancy and the local atomic environment and they can be physically interpreted from the local small charge transfers occurring in the superficial region of the slabs. For recovering the experimental behavior on the results for the (001) slab system, the geometrical relaxations at its non-bulk atomic layers and a d band filling variation are required. A study on the magnetic anisotropy aspects in the superficial region of the slabs is additionally performed by analyzing the results for the orbital local magnetization calculated along two different magnetization directions in both slab systems.

Original languageEnglish
Article number056001
JournalJournal of Physics Condensed Matter
Issue number5
StatePublished - 2010


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