Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry FexSi1-x thin films

Karel, J.; Juraszek, J.; Minar, J.; Bordel, C.; Stone, K. H.; Zhang, Y. N.; Hu, J.; Wu, R. Q.; Ebert, H.; Kortright, J. B.; Hellman, F.

doi:10.1103/PhysRevB.91.144402

Title: Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry $F e_{x} S i_{1 - x}$ thin films

Journal Article · Mon Apr 06 00:00:00 EDT 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.91.144402· OSTI ID:1512185

Karel, J. ^[1]; Juraszek, J. ^[2]; Minar, J. ^[3]; Bordel, C. ^[4]; Stone, K. H. ^[5]; Zhang, Y. N. ^[6]; Hu, J. ^[6]; Wu, R. Q. ^[6]; Ebert, H. ^[7]; Kortright, J. B. ^[5]; Hellman, F. ^[8]

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 Fe_xSi_1-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.

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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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Cited by: 24 works

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