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Title: Na 2Mn 3Se 4: Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure

Abstract

A new ternary selenide, Na 2Mn 3Se 4, was prepared by a stoichiometric reaction between Na 2Se 4 and metallic Mn at 923 K. Crystal structure determination revealed a new structure type, built of alternating layers of Na + ions and [Mn 3Se 4] 2– anionic slabs. Band structure calculations indicate that Na 2Mn 3Se 4 is an indirect band gap semiconductor with E g = 1.59 eV, although a direct band gap is only marginally larger, at 1.64 eV. The material shows antiferromagnetic (AFM) ordering at 27 K, while the Weiss constant of ~–400 K suggests much stronger nearest-neighbor AFM exchange between the Mn sites. This discrepancy is attributed to the strong spin frustration caused by a triangulated arrangement of the Mn sites in the [Mn 3Se 4] 2– layer. In conclusion, the magnetic frustration leads to the stabilization of a complex AFM ordered structure with non-collinear arrangement of the Mn magnetic moments, as established from neutron diffraction data.

Authors:
 [1]; ORCiD logo [2];  [3]; ORCiD logo [2];  [4]; ORCiD logo [3]
  1. Florida State Univ., Tallahassee, FL (United States); National High Magnetic Field Lab., Tallahassee, FL (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Florida State Univ., Tallahassee, FL (United States)
  4. National High Magnetic Field Lab., Tallahassee, FL (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:
1559625
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 58; Journal Issue: 9; 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

Pak, Chongin, Garlea, Vasile Ovidiu, Yannello, Vincent, Cao, Huibo, Bangura, Alimamy F., and Shatruk, Michael. Na2Mn3Se4: Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure. United States: N. p., 2019. Web. doi:10.1021/acs.inorgchem.9b00134.
Pak, Chongin, Garlea, Vasile Ovidiu, Yannello, Vincent, Cao, Huibo, Bangura, Alimamy F., & Shatruk, Michael. Na2Mn3Se4: Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure. United States. doi:10.1021/acs.inorgchem.9b00134.
Pak, Chongin, Garlea, Vasile Ovidiu, Yannello, Vincent, Cao, Huibo, Bangura, Alimamy F., and Shatruk, Michael. Tue . "Na2Mn3Se4: Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure". United States. doi:10.1021/acs.inorgchem.9b00134.
@article{osti_1559625,
title = {Na2Mn3Se4: Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure},
author = {Pak, Chongin and Garlea, Vasile Ovidiu and Yannello, Vincent and Cao, Huibo and Bangura, Alimamy F. and Shatruk, Michael},
abstractNote = {A new ternary selenide, Na2Mn3Se4, was prepared by a stoichiometric reaction between Na2Se4 and metallic Mn at 923 K. Crystal structure determination revealed a new structure type, built of alternating layers of Na+ ions and [Mn3Se4]2– anionic slabs. Band structure calculations indicate that Na2Mn3Se4 is an indirect band gap semiconductor with Eg = 1.59 eV, although a direct band gap is only marginally larger, at 1.64 eV. The material shows antiferromagnetic (AFM) ordering at 27 K, while the Weiss constant of ~–400 K suggests much stronger nearest-neighbor AFM exchange between the Mn sites. This discrepancy is attributed to the strong spin frustration caused by a triangulated arrangement of the Mn sites in the [Mn3Se4]2– layer. In conclusion, the magnetic frustration leads to the stabilization of a complex AFM ordered structure with non-collinear arrangement of the Mn magnetic moments, as established from neutron diffraction data.},
doi = {10.1021/acs.inorgchem.9b00134},
journal = {Inorganic Chemistry},
number = 9,
volume = 58,
place = {United States},
year = {2019},
month = {4}
}

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Works referencing / citing this record:

CSD 1891813: Experimental Crystal Structure Determination
dataset, January 2019

  • Pak, Chongin; Garlea, V. Ovidiu; Yannello, Vincent
  • FIZ Karlsruhe – Leibniz Institute for Information Infrastructure
  • DOI: 10.25505/fiz.icsd.cc21hl7d

The new sodium tellurido manganates(II) Na2Mn2Te3, Na2Mn3Te4, Na2AMnTe3 (A=K, Rb), and NaCsMnTe2
journal, September 2019

  • Langenmaier, Michael; Röhr, Caroline
  • Zeitschrift für Naturforschung B, Vol. 74, Issue 9
  • DOI: 10.1515/znb-2019-0104