Electronic and magnetic properties of Si substituted Fe3Ge
Abstract
We studied the effect of Si substitution in the hexagonal Fe3Ge, using first principles calculations. We also find the low temperature magnetic anisotropy in this system to be planar and originating mostly from the spin-orbit coupling in Fe-d states. Reduction of the unitcell volume reduces the magnitude of in-plane magnetic anisotropy, eventually turning it positive which reorients the magnetic moments to the axial direction. Substituting Ge with the smaller Si ions also increases the anisotropy, potentially enhancing the region of stability of the axial magnetization, which is beneficial for magnetic applications such as permanent magnets. Finally, our experimental measurements on samples of Fe3Ge1-xSix confirm these predictions and show that substitution of about 6% of the Ge with Si increases by approximately 35 K the temperature range over which anisotropy is uniaxial.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1235828
- Alternate Identifier(s):
- OSTI ID: 1334450; OSTI ID: 1420724
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 118; Journal Issue: 12; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Shanavas, Kavungal Veedu, McGuire, Michael A., and Parker, David S. Electronic and magnetic properties of Si substituted Fe3Ge. United States: N. p., 2015.
Web. doi:10.1063/1.4931574.
Shanavas, Kavungal Veedu, McGuire, Michael A., & Parker, David S. Electronic and magnetic properties of Si substituted Fe3Ge. United States. https://doi.org/10.1063/1.4931574
Shanavas, Kavungal Veedu, McGuire, Michael A., and Parker, David S. Wed .
"Electronic and magnetic properties of Si substituted Fe3Ge". United States. https://doi.org/10.1063/1.4931574. https://www.osti.gov/servlets/purl/1235828.
@article{osti_1235828,
title = {Electronic and magnetic properties of Si substituted Fe3Ge},
author = {Shanavas, Kavungal Veedu and McGuire, Michael A. and Parker, David S.},
abstractNote = {We studied the effect of Si substitution in the hexagonal Fe3Ge, using first principles calculations. We also find the low temperature magnetic anisotropy in this system to be planar and originating mostly from the spin-orbit coupling in Fe-d states. Reduction of the unitcell volume reduces the magnitude of in-plane magnetic anisotropy, eventually turning it positive which reorients the magnetic moments to the axial direction. Substituting Ge with the smaller Si ions also increases the anisotropy, potentially enhancing the region of stability of the axial magnetization, which is beneficial for magnetic applications such as permanent magnets. Finally, our experimental measurements on samples of Fe3Ge1-xSix confirm these predictions and show that substitution of about 6% of the Ge with Si increases by approximately 35 K the temperature range over which anisotropy is uniaxial.},
doi = {10.1063/1.4931574},
journal = {Journal of Applied Physics},
number = 12,
volume = 118,
place = {United States},
year = {Wed Sep 23 00:00:00 EDT 2015},
month = {Wed Sep 23 00:00:00 EDT 2015}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 12 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Ferromagnetism of Fe3Sn and Alloys
journal, November 2014
- Sales, Brian C.; Saparov, Bayrammurad; McGuire, Michael A.
- Scientific Reports, Vol. 4, Issue 1
The crystallographic phases and magnetic properties of Fe2MnSi1−xGex
journal, May 2003
- Zhang, L.; Brück, E.; Tegus, O.
- Physica B: Condensed Matter, Vol. 328, Issue 3-4
Magnetic properties of hexagonal and cubic Fe 3 Ge
journal, November 1976
- Drijver, J. W.; Sinnema, S. G.; Woude, F. van der
- Journal of Physics F: Metal Physics, Vol. 6, Issue 11
Magnetocrystalline anisotropy of Fe3Ge single crystal: Effect of pressure and Mn substitution for Fe
journal, August 2004
- Albertini, F.; Negri, D.; Pareti, L.
- Journal of Applied Physics, Vol. 96, Issue 4
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Shape Controlling Synthesis— Formation of Fe3Si by the Reaction of Iron with Silicon Tetrachloride and Crystal Structure Refinement
journal, September 2003
- Schütte, M.; Wartchow, R.; Binnewies, M.
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 629, Issue 10
Magnetic anisotropic effects and electronic correlations in MnBi ferromagnet
journal, August 2014
- Antropov, V. P.; Antonov, V. N.; Bekenov, L. V.
- Physical Review B, Vol. 90, Issue 5
Theoretical study on the role of dynamics on the unusual magnetic properties in MnBi
journal, November 2014
- Shanavas, K. V.; Parker, David; Singh, David J.
- Scientific Reports, Vol. 4, Issue 1
Works referencing / citing this record:
Tuning magnetocrystalline anisotropy by cobalt alloying in hexagonal Fe3Ge1
journal, September 2018
- McGuire, Michael A.; Shanavas, K. V.; Kesler, Michael S.
- Scientific Reports, Vol. 8, Issue 1