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Title: Symmetry of reentrant tetragonal phase in Ba 1 - x Na x Fe 2 As 2 : Magnetic versus orbital ordering mechanism

Abstract

Magnetostructural phase transitions in Ba 1-xA xFe 2As 2 (A = K, Na) materials are discussed for both magnetically and orbitally driven mechanisms, using a symmetry analysis formulated within the Landau theory of phase transitions. Both mechanisms predict identical orthorhombic space-group symmetries for the nematic and magnetic phases observed over much of the phase diagram, but they predict different tetragonal space-group symmetries for the newly discovered reentrant tetragonal phase in Ba 1-xNa xFe 2As 2 (x similar to 0.24-0.28). In a magnetic scenario, magnetic order with moments along the c axis, as found experimentally, does not allow any type of orbital order, but in an orbital scenario, we have determined two possible orbital patterns, specified by P4/mnc1' and I4221' space groups, which do not require atomic displacements relative to the parent I4/mmm1' symmetry and, in consequence, are indistinguishable in conventional diffraction experiments. We demonstrate that the three possible space groups are, however, distinct in resonant x-ray Bragg diffraction patterns created by Templeton & Templeton scattering. This provides an experimental method of distinguishing between magnetic and orbital models.

Authors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1392314
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 90; Journal Issue: 17; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

Citation Formats

Khalyavin, D. D., Lovesey, S. W., Manuel, P., Krüger, F., Rosenkranz, S., Allred, J. M., Chmaissem, O., and Osborn, R. Symmetry of reentrant tetragonal phase in Ba1-xNaxFe2As2 : Magnetic versus orbital ordering mechanism. United States: N. p., 2014. Web. doi:10.1103/PhysRevB.90.174511.
Khalyavin, D. D., Lovesey, S. W., Manuel, P., Krüger, F., Rosenkranz, S., Allred, J. M., Chmaissem, O., & Osborn, R. Symmetry of reentrant tetragonal phase in Ba1-xNaxFe2As2 : Magnetic versus orbital ordering mechanism. United States. https://doi.org/10.1103/PhysRevB.90.174511
Khalyavin, D. D., Lovesey, S. W., Manuel, P., Krüger, F., Rosenkranz, S., Allred, J. M., Chmaissem, O., and Osborn, R. Mon . "Symmetry of reentrant tetragonal phase in Ba1-xNaxFe2As2 : Magnetic versus orbital ordering mechanism". United States. https://doi.org/10.1103/PhysRevB.90.174511.
@article{osti_1392314,
title = {Symmetry of reentrant tetragonal phase in Ba1-xNaxFe2As2 : Magnetic versus orbital ordering mechanism},
author = {Khalyavin, D. D. and Lovesey, S. W. and Manuel, P. and Krüger, F. and Rosenkranz, S. and Allred, J. M. and Chmaissem, O. and Osborn, R.},
abstractNote = {Magnetostructural phase transitions in Ba1-xAxFe2As2 (A = K, Na) materials are discussed for both magnetically and orbitally driven mechanisms, using a symmetry analysis formulated within the Landau theory of phase transitions. Both mechanisms predict identical orthorhombic space-group symmetries for the nematic and magnetic phases observed over much of the phase diagram, but they predict different tetragonal space-group symmetries for the newly discovered reentrant tetragonal phase in Ba1-xNaxFe2As2 (x similar to 0.24-0.28). In a magnetic scenario, magnetic order with moments along the c axis, as found experimentally, does not allow any type of orbital order, but in an orbital scenario, we have determined two possible orbital patterns, specified by P4/mnc1' and I4221' space groups, which do not require atomic displacements relative to the parent I4/mmm1' symmetry and, in consequence, are indistinguishable in conventional diffraction experiments. We demonstrate that the three possible space groups are, however, distinct in resonant x-ray Bragg diffraction patterns created by Templeton & Templeton scattering. This provides an experimental method of distinguishing between magnetic and orbital models.},
doi = {10.1103/PhysRevB.90.174511},
url = {https://www.osti.gov/biblio/1392314}, journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 17,
volume = 90,
place = {United States},
year = {2014},
month = {11}
}

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