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Title: Investigation of a Structural Phase Transition and Magnetic Structure of Na 2BaFe(VO 4) 2: A Triangular Magnetic Lattice with a Ferromagnetic Ground State

Abstract

The structural and magnetic properties of a glaserite-type Na 2BaFe(VO 4) 2 compound, featuring a triangular magnetic lattice of Fe 2+ (S = 2), are reported. Temperature dependent X-ray single crystal studies indicate that at room temperature the system adopts a trigonal P$$\bar{3}$$ m1 structure and undergoes a structural phase transition to a C2/c monoclinic phase slightly below room temperature (T s = 288 K). This structural transition involves a tilting of Fe–O–V bond angles and strongly influences the magnetic correlation within the Fe triangular lattice. The magnetic susceptibility measurements reveal a ferromagnetic transition near 7 K. Single crystal neutron diffraction confirms the structural distortion and the ferromagnetic spin ordering in Na 2BaFe(VO 4) 2. The magnetic structure of the ordered state is modeled in the magnetic space group C2'/c' that implies a ferromagnetic order of the a and c moment components and antiferromagnetic arrangement for the b components. Altogether, the Fe magnetic moments form ferromagnetic layers that are stacked along the c-axis, where the spins point along one of the (111) facets of the FeO 6 octahedron.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1];  [1];  [1]
  1. Clemson Univ., Clemson, SC (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1415912
Alternate Identifier(s):
OSTI ID: 1468008
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 56; Journal Issue: 24; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Sanjeewa, Liurukara D., Garlea, Vasile O., McGuire, Michael A., Frontzek, Matthias D., McMillen, Colin D., Fulle, Kyle, and Kolis, Joseph W. Investigation of a Structural Phase Transition and Magnetic Structure of Na2BaFe(VO4)2: A Triangular Magnetic Lattice with a Ferromagnetic Ground State. United States: N. p., 2017. Web. doi:10.1021/acs.inorgchem.7b02024.
Sanjeewa, Liurukara D., Garlea, Vasile O., McGuire, Michael A., Frontzek, Matthias D., McMillen, Colin D., Fulle, Kyle, & Kolis, Joseph W. Investigation of a Structural Phase Transition and Magnetic Structure of Na2BaFe(VO4)2: A Triangular Magnetic Lattice with a Ferromagnetic Ground State. United States. doi:10.1021/acs.inorgchem.7b02024.
Sanjeewa, Liurukara D., Garlea, Vasile O., McGuire, Michael A., Frontzek, Matthias D., McMillen, Colin D., Fulle, Kyle, and Kolis, Joseph W. Thu . "Investigation of a Structural Phase Transition and Magnetic Structure of Na2BaFe(VO4)2: A Triangular Magnetic Lattice with a Ferromagnetic Ground State". United States. doi:10.1021/acs.inorgchem.7b02024.
@article{osti_1415912,
title = {Investigation of a Structural Phase Transition and Magnetic Structure of Na2BaFe(VO4)2: A Triangular Magnetic Lattice with a Ferromagnetic Ground State},
author = {Sanjeewa, Liurukara D. and Garlea, Vasile O. and McGuire, Michael A. and Frontzek, Matthias D. and McMillen, Colin D. and Fulle, Kyle and Kolis, Joseph W.},
abstractNote = {The structural and magnetic properties of a glaserite-type Na2BaFe(VO4)2 compound, featuring a triangular magnetic lattice of Fe2+ (S = 2), are reported. Temperature dependent X-ray single crystal studies indicate that at room temperature the system adopts a trigonal P$\bar{3}$m1 structure and undergoes a structural phase transition to a C2/c monoclinic phase slightly below room temperature (Ts = 288 K). This structural transition involves a tilting of Fe–O–V bond angles and strongly influences the magnetic correlation within the Fe triangular lattice. The magnetic susceptibility measurements reveal a ferromagnetic transition near 7 K. Single crystal neutron diffraction confirms the structural distortion and the ferromagnetic spin ordering in Na2BaFe(VO4)2. The magnetic structure of the ordered state is modeled in the magnetic space group C2'/c' that implies a ferromagnetic order of the a and c moment components and antiferromagnetic arrangement for the b components. Altogether, the Fe magnetic moments form ferromagnetic layers that are stacked along the c-axis, where the spins point along one of the (111) facets of the FeO6 octahedron.},
doi = {10.1021/acs.inorgchem.7b02024},
journal = {Inorganic Chemistry},
number = 24,
volume = 56,
place = {United States},
year = {Thu Dec 07 00:00:00 EST 2017},
month = {Thu Dec 07 00:00:00 EST 2017}
}

Journal Article:
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