Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry thin films
- Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division
- CNRS-Univ. de Rouen, St. Etienne du Rouvray (France)
- Univ. München, München (Germany). Dept. Chemie und Biochemie, Physikalische Chemie; Univ. of West Bohemia, Pilsen (Czech Republic)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division; CNRS-Univ. de Rouen, St. Etienne du Rouvray (France); Univ. of California, Berkeley, CA (United States). Dept. of Physics
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division
- Univ. of California, Irvine, CA (United States). Dept. of Physics and Astronomy
- Univ. München, München (Germany). Dept. Chemie und Biochemie, Physikalische Chemie
- Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division; Univ. of California, Berkeley, CA (United States). Dept. of Physics
Off-stoichiometry, epitaxial FexSi1-x thin films (0.5 < x < 1.0) exhibit D03 or B2 chemical order, even far from stoichiometry. Theoretical calculations show the magnetic moment is strongly enhanced in the fully chemically disordered A2 phase, while both theoretical and experimental results show that the magnetization is nearly the same in the B2 and D03 phases, meaning partial chemical disorder does not influence the magnetism. The dependencies of the magnetic moments are directly and nonlinearly linked to the number of Si atoms, primarily nearest neighbor but also to a lesser extent (up to 10%) next nearest neighbor, surrounding Fe, explaining the similarities between B2 and D03 and the strong enhancement for the A2 structure. The calculated electronic density of states shows many similarities in both structure and spin polarization between the D03 and B2 structures, while the A2 structure exhibits disorder broadening and a reduced spin polarization.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- AC02-05CH11231; FOR 1346; FG02-05ER46237
- OSTI ID:
- 1512185
- Alternate ID(s):
- OSTI ID: 1179336
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 91, Issue 14; ISSN 1098-0121
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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