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

Abstract

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.

Authors:

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

Publication Date:: Mon Apr 06 00:00:00 EDT 2015

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1512185

Alternate Identifier(s):: OSTI ID: 1179336

Grant/Contract Number:: AC02-05CH11231; FOR 1346; FG02-05ER46237

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 91; Journal Issue: 14; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE

Citation Formats


                    Karel, J., Juraszek, J., Minar, J., Bordel, C., Stone, K. H., Zhang, Y. N., Hu, J., Wu, R. Q., Ebert, H., Kortright, J. B., and Hellman, F. Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry FexSi1-x thin films.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevB.91.144402.

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                    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. Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry FexSi1-x thin films.  United States.  https://doi.org/10.1103/PhysRevB.91.144402

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                    Karel, J., Juraszek, J., Minar, J., Bordel, C., Stone, K. H., Zhang, Y. N., Hu, J., Wu, R. Q., Ebert, H., Kortright, J. B., and Hellman, F. Mon .  
"Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry FexSi1-x thin films".  United States.  https://doi.org/10.1103/PhysRevB.91.144402.  https://www.osti.gov/servlets/purl/1512185.

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@article{osti_1512185,

  title        = {Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry FexSi1-x thin films},

  author       = {Karel, J. and Juraszek, J. and Minar, J. and Bordel, C. and Stone, K. H. and Zhang, Y. N. and Hu, J. and Wu, R. Q. and Ebert, H. and Kortright, J. B. and Hellman, F.},

  abstractNote = {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.},

  doi          = {10.1103/PhysRevB.91.144402},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 14,

  volume       = 91,

  place        = {United States},

  year         = {Mon Apr 06 00:00:00 EDT 2015},

  month        = {Mon Apr 06 00:00:00 EDT 2015}

}

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https://doi.org/10.1103/PhysRevB.91.144402

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Cited by: 24 works

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Figures / Tables:

FIG. 1: (a) $D$0₃ crystal structure for $x$ = 0.75, (b) off-stoichiometry $D$0₃ (e.g., $x$ = 0.687 5 shown here), and (c) $B$₂ ($x$ ≥ 0.5). Fe/Si indicates the site is occupied by either Fe or Si, depending on $x$. For $x$ = 0.50 in (c), all the Fe/Si sitesmore »

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Title: Effect of chemical order on the magnetic and electronic properties of epitaxial off-stoichiometry F e x S i 1 - x thin films

Abstract

Citation Formats

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

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journal, March 1991

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
journal, August 1980

Extended Skyrmion Phase in Epitaxial $FeGe (111)$ Thin Films
journal, June 2012

Magnetic Study of Fe ₃ Si and Fe ₅ Si ₃ by Mössbauer Effect
journal, June 1963

Magnetic properties of epitaxial Fe(Si1−xFex) films grown on Si(111)
journal, January 1999

Using structural disorder to enhance the magnetism and spin-polarization in Fe _x Si _{1 − x} thin films for spintronics
journal, April 2014

Magnetic and structural properties of epitaxial $c − FeSi$ films grown on $MgO (100)$
journal, June 2006

Room-temperature structural ordering of a Heusler compound Fe $_{3}$ Si
journal, November 2012

Axial orientation of molecular-beam-epitaxy-grown Fe3Si∕Ge hybrid structures and its degradation
journal, October 2007

Magnetic circular dichroism in X-ray absorption: theoretical description and applications
journal, March 2004

Large anomalous Hall effect in a silicon-based magnetic semiconductor
journal, March 2004

Correlation effects in electronic structure of actinide monochalcogenides
journal, September 2005

Magnetic properties of epitaxial ${Fe}_{3} Si ∕ Mg O (001)$ thin films
journal, December 2007

Disorder-induced reversal of spin polarization in the Heusler alloy Co $_{2}$ FeSi
journal, April 2011

Improved interfacial local structural ordering of epitaxial Fe ₃ Si(001) thin films on GaAs(001) by a MgO(001) tunneling barrier
journal, October 2011

Structural and hyperfine magnetic properties of Fe3Si thin films grown at low temperature
journal, July 2008

Internal Magnetic Fields, Isomer Shifts, and Relative Abundances of the Various Fe Sites in FeSi Alloys
journal, February 1963

Atomic form factors, incoherent scattering functions, and photon scattering cross sections
journal, July 1975

Local atomic order and element-specific magnetic moments of ${Fe}_{3} Si$ thin films on MgO(001) and GaAs(001) substrates
journal, October 2009

A setup combining magneto-optical Kerr effect and conversion electron Mössbauer spectrometry for analysis of the near-surface magnetic properties of thin films
journal, April 2009

Determination of Long-Range-Order Parameter of Fe<SUB>3</SUB>Si Alloy by means of <SUP>57</SUP>Fe Mössbauer Effect
journal, January 1985

Magnetization studies of binary and ternary alloys based on ${Fe}_{3}$ Si
journal, May 1976

Electronic structure and magnetic properties of correlated metals: A local self-consistent perturbation scheme
journal, November 2002

Effect of the Local Environment on the Magnetic Properties of Mn ₃ Si: Hybrid Ab Initio and Model Study
journal, August 2019

The Degree‐of‐Order Dependent Electronic Structures and Magnetic Properties of Fe ₃ Si Alloys
journal, January 2020

Spin-dependent electrical hole extraction from low doped p-Si via the interface states in a Fe ₃ Si/p-Si structure
journal, February 2019

Magnetic properties of Co 2 2+ Co 1 − x 3+ Fe x 3+ BO5 (x = 0.10) single crystals with a ludwigite structure
journal, April 2017

Effect of Epitaxial Alignment on Electron Transport from Quasi-Two-Dimensional Iron Silicide α-FeSi2 Nanocrystals Into p-Si(001)
journal, April 2018