Physics – Condensed Matter – Materials Science
Scientific paper
2007-09-06
Physics
Condensed Matter
Materials Science
4 pages, 3 figures (presented in Third Seeheim Conference on Magnetism, 26-30 Aug. 2007, Frankfurt, Germany)
Scientific paper
10.1016/j.ssc.2007.12.028
Cementite Fe3C is studied with first-principles calculations. Two possible positions of carbon atoms in the iron sublattice are considered: with prismatic or octahedral environment. Mossbauer spectra (MS) with parameters calculated for both modifications are simulated above and below the Curie temperature. A possibility to detect the change in carbon position upon annealing from MS is discussed. It is shown that this is hardly possible using a standard approach to treatment of MS, but it can be seen in more subtle details of the MS below the Curie temperature, such as widths and positions of separate lines.
Arzhnikov A. K.
Dobysheva L. V.
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