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

Chongin Pak; V. Ovidiu Garlea; Vincent Yannello; Huibo Cao; Alimamy F. Bangura; Michael Shatruk

doi:10.1021/acs.inorgchem.9b00134

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

Chongin Pak, V. Ovidiu Garlea, Vincent Yannello, Huibo Cao, Alimamy F. Bangura, Michael Shatruk

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

A new ternary selenide, Na ₂ Mn ₃ Se ₄ , was prepared by a stoichiometric reaction between Na ₂ Se ₄ and metallic Mn at 923 K. Crystal structure determination revealed a new structure type, built of alternating layers of Na ⁺ ions and [Mn ₃ Se ₄ ] ^2- anionic slabs. Band structure calculations indicate that Na ₂ Mn ₃ Se 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 ₃ Se ₄ ] ^2- layer. 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.

Original language	English
Pages (from-to)	5799-5806
Number of pages	8
Journal	Inorganic Chemistry
Volume	58
Issue number	9
DOIs	https://doi.org/10.1021/acs.inorgchem.9b00134
State	Published - May 6 2019

Funding

This work was supported by the National Science Foundation via award DMR-1507233 to M.S. The work at the ORNL was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. We thank Dr. Shane Galley for assistance with optical spectroscopy. This work was supported by the National Science Foundation via award DMR-1507233 to M.S. The work at the ORNL was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy.

Funders	Funder number
Office of Basic Energy Sciences
Scientific User Facilities Division
National Science Foundation	DMR-1507233
U.S. Department of Energy
Oak Ridge National Laboratory
National Science Foundation

Access to Document

10.1021/acs.inorgchem.9b00134

Cite this

Pak, C., Garlea, V. O., Yannello, V., Cao, H., Bangura, A. F., & Shatruk, M. (2019). Na ₂ Mn ₃ Se ₄: Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure. Inorganic Chemistry, 58(9), 5799-5806. https://doi.org/10.1021/acs.inorgchem.9b00134

@article{1ecd6435b7e14a0fa776f7a22291f2e2,

title = "Na 2 Mn 3 Se 4: Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure",

abstract = " A new ternary selenide, Na 2 Mn 3 Se 4 , was prepared by a stoichiometric reaction between Na 2 Se 4 and metallic Mn at 923 K. Crystal structure determination revealed a new structure type, built of alternating layers of Na + ions and [Mn 3 Se 4 ] 2- anionic slabs. Band structure calculations indicate that Na 2 Mn 3 Se 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 3 Se 4 ] 2- layer. 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.",

author = "Chongin Pak and Garlea, {V. Ovidiu} and Vincent Yannello and Huibo Cao and Bangura, {Alimamy F.} and Michael Shatruk",

note = "Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",

year = "2019",

month = may,

day = "6",

doi = "10.1021/acs.inorgchem.9b00134",

language = "English",

volume = "58",

pages = "5799--5806",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "9",

}

Pak, C, Garlea, VO, Yannello, V, Cao, H, Bangura, AF & Shatruk, M 2019, 'Na ₂ Mn ₃ Se ₄: Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure', Inorganic Chemistry, vol. 58, no. 9, pp. 5799-5806. https://doi.org/10.1021/acs.inorgchem.9b00134

Na ₂ Mn ₃ Se ₄: Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure. / Pak, Chongin; Garlea, V. Ovidiu; Yannello, Vincent et al.
In: Inorganic Chemistry, Vol. 58, No. 9, 06.05.2019, p. 5799-5806.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Na 2 Mn 3 Se 4

T2 - Strongly Frustrated Antiferromagnetic Semiconductor with Complex Magnetic Structure

AU - Pak, Chongin

AU - Garlea, V. Ovidiu

AU - Yannello, Vincent

AU - Cao, Huibo

AU - Bangura, Alimamy F.

AU - Shatruk, Michael

PY - 2019/5/6

Y1 - 2019/5/6

N2 - A new ternary selenide, Na 2 Mn 3 Se 4 , was prepared by a stoichiometric reaction between Na 2 Se 4 and metallic Mn at 923 K. Crystal structure determination revealed a new structure type, built of alternating layers of Na + ions and [Mn 3 Se 4 ] 2- anionic slabs. Band structure calculations indicate that Na 2 Mn 3 Se 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 3 Se 4 ] 2- layer. 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.

AB - A new ternary selenide, Na 2 Mn 3 Se 4 , was prepared by a stoichiometric reaction between Na 2 Se 4 and metallic Mn at 923 K. Crystal structure determination revealed a new structure type, built of alternating layers of Na + ions and [Mn 3 Se 4 ] 2- anionic slabs. Band structure calculations indicate that Na 2 Mn 3 Se 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 3 Se 4 ] 2- layer. 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.

UR - http://www.scopus.com/inward/record.url?scp=85065465524&partnerID=8YFLogxK

U2 - 10.1021/acs.inorgchem.9b00134

DO - 10.1021/acs.inorgchem.9b00134

M3 - Article

C2 - 31012574

AN - SCOPUS:85065465524

SN - 0020-1669

VL - 58

SP - 5799

EP - 5806

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 9

ER -

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

Abstract

Funding

Access to Document

Other files and links

Fingerprint

Cite this