CsMn4As3: A Layered Tetragonal Transition-Metal Pnictide Compound with an Antiferromagnetic Ground State

Pandey, Abhishek; Samal, Saroj L.; Johnston, David C.

doi:10.1021/acs.inorgchem.7b03105

Title: CsMn₄As₃: A Layered Tetragonal Transition-Metal Pnictide Compound with an Antiferromagnetic Ground State

Abstract

We report the synthesis and properties of a new layered tetragonal ternary compound CsMn4As3 (structure: KCu₄S₃-type, space group: P4/mmm, No. 123 and Z = 2). The material is a small band-gap semiconductor and exhibits an antiferromagnetic ground state associated with Mn spins. The compound exhibits a signature of a distinct magnetic moment canting event at 150(5) K with a canting angle of ≈ 0:3°. Although, some features of the magnetic characteristics of this new compound are qualitatively similar to those of the related BaMn₂As₂, the underlying Mn sublattices of the two materials are quite different. While the Mn square-lattice layers in BaMn₂As₂ are equally spaced along the c-direction with the interlayer distance d_{L Ba} = 6.7341(4) Å, the Mn sublattice forms bilayers in CsMn₄As₃ with the interlayer distance within a bilayer d_{L Cs} = 3.1661(6) Å and the distance between the two adjacent bilayers d_B = 7:290(6) Å. This difference in the Mn sublattice is bound to significantly alter the energy balance between the J₁, J₂ and J_c exchange interactions within the J₁-J₂-J_c model compared to that in BaMn₂As₂ and the other related 122 compounds including the well-known iron-arsenide superconductor parent compound BaFe₂As₂. Owing to the novelty of its transitionmore »« less

Authors:

^[1]; Samal, Saroj L. ^[1]; Johnston, David C. ^[1]

Ames Lab. and Iowa State Univ., Ames, IA (United States)

Publication Date:: Tue Mar 06 00:00:00 EST 2018

Research Org.:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1556933

Report Number(s):: IS-J-9619
Journal ID: ISSN 0020-1669

Grant/Contract Number:: AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Inorganic Chemistry

Additional Journal Information:: Journal Volume: 57; Journal Issue: 6; 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


                    Pandey, Abhishek, Samal, Saroj L., and Johnston, David C. CsMn4As3: A Layered Tetragonal Transition-Metal Pnictide Compound with an Antiferromagnetic Ground State.  United States: N. p., 2018. 
Web.  doi:10.1021/acs.inorgchem.7b03105.

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                    Pandey, Abhishek, Samal, Saroj L., & Johnston, David C. CsMn4As3: A Layered Tetragonal Transition-Metal Pnictide Compound with an Antiferromagnetic Ground State.  United States.  https://doi.org/10.1021/acs.inorgchem.7b03105

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                    Pandey, Abhishek, Samal, Saroj L., and Johnston, David C. Tue .  
"CsMn4As3: A Layered Tetragonal Transition-Metal Pnictide Compound with an Antiferromagnetic Ground State".  United States.  https://doi.org/10.1021/acs.inorgchem.7b03105.  https://www.osti.gov/servlets/purl/1556933.

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@article{osti_1556933,

  title        = {CsMn4As3: A Layered Tetragonal Transition-Metal Pnictide Compound with an Antiferromagnetic Ground State},

  author       = {Pandey, Abhishek and Samal, Saroj L. and Johnston, David C.},

  abstractNote = {We report the synthesis and properties of a new layered tetragonal ternary compound CsMn4As3 (structure: KCu4S3-type, space group: P4/mmm, No. 123 and Z = 2). The material is a small band-gap semiconductor and exhibits an antiferromagnetic ground state associated with Mn spins. The compound exhibits a signature of a distinct magnetic moment canting event at 150(5) K with a canting angle of ≈ 0:3°. Although, some features of the magnetic characteristics of this new compound are qualitatively similar to those of the related BaMn2As2, the underlying Mn sublattices of the two materials are quite different. While the Mn square-lattice layers in BaMn2As2 are equally spaced along the c-direction with the interlayer distance dL Ba = 6.7341(4) Å, the Mn sublattice forms bilayers in CsMn4As3 with the interlayer distance within a bilayer dL Cs = 3.1661(6) Å and the distance between the two adjacent bilayers dB = 7:290(6) Å. This difference in the Mn sublattice is bound to significantly alter the energy balance between the J1, J2 and Jc exchange interactions within the J1-J2-Jc model compared to that in BaMn2As2 and the other related 122 compounds including the well-known iron-arsenide superconductor parent compound BaFe2As2. Owing to the novelty of its transition metal sublattice, this new addition to the family of tetragonal materials related to the iron-based superconductors brings prospects for doping and pressure studies in the search of new superconducting phases as well as other exciting correlated-electron properties.},

  doi          = {10.1021/acs.inorgchem.7b03105},

  journal      = {Inorganic Chemistry},

  number       = 6,

  volume       = 57,

  place        = {United States},

  year         = {Tue Mar 06 00:00:00 EST 2018},

  month        = {Tue Mar 06 00:00:00 EST 2018}

}

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Title: CsMn4As3: A Layered Tetragonal Transition-Metal Pnictide Compound with an Antiferromagnetic Ground State

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Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993

An empirical correction for absorption anisotropy
journal, January 1995

A technique for relativistic spin-polarised calculations
journal, August 1977

Calculated electronic structure of the sandwichd 1 metals LaI2 and CeI2: Application of new LMTO techniques
journal, March 1995

Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
journal, August 1993

Cluster Chemistry in Electron-Poor Ae–Pt–Cd Systems (Ae = Ca, Sr, Ba): (Sr,Ba)Pt ₂ Cd ₄ , Ca ₆ Pt ₈ Cd ₁₆ , and Its Known Antitype Er ₆ Pd ₁₆ Sb ₈
journal, February 2013

CaFe ₄ As ₃ : A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties
journal, April 2009

Relativistic Effects and Gold Site Distributions: Synthesis, Structure, and Bonding in a Polar Intermetallic Na ₆ Cd ₁₆ Au ₇
journal, August 2011

Y ₃ MnAu ₅ : Three Distinctive d -Metal Functions in an Intergrown Cluster Phase
journal, December 2012

Taking Advantage of Gold’s Electronegativity in R ₄ Mn _{3– x} Au _{10+ x} ( R = Gd or Y; 0.2 ≤ x ≤ 1)
journal, May 2014

Specific Heats at Low Temperatures
book, January 1966

Structural, thermal, magnetic, and electronic transport properties of the LaNi $_{2}$ (Ge $_{1 - x}$ P $_{x}$ ) $_{2}$ system
journal, February 2012

Large miscibility gap in the Ba(Mn $_{x}$ Fe $_{1 - x}$ ) $_{2}$ As $_{2}$ system
journal, July 2011

Pressure-induced metallization of BaMn $_{2}$ As $_{2}$
journal, November 2011

Conduction in non-crystalline materials: III. Localized states in a pseudogap and near extremities of conduction and valence bands
journal, April 1969

Electronic Properties of Doped Semiconductors
book, January 1984

Magnetic Disorder as a First-Order Phase Transformation
journal, April 1962

Electronic State of High Spin MnAs
journal, April 1977

Crystalline and magnetic properties of MnAs under pressure
journal, January 1998

The crystal structure of MnAs above 40°C
journal, February 1964

First-principles evidence of Mn moment canting in hole-doped $Ba_{1 - 2 x}$ $K_{2 x}$ $Mn_{2}$ $As_{2}$
journal, February 2014

Fermi-liquid state and enhanced electron correlations in the iron pnictide ${CaFe}_{4} {As}_{3}$
journal, July 2009

Incommensurate Magnetism in FeAs Strips: Neutron Scattering from ${CaFe}_{4} {As}_{3}$
journal, January 2011

Magnetic exchange interactions in ${BaMn}_{2} {As}_{2}$ : A case study of the $J_{1}$ - $J_{2}$ - $J_{c}$ Heisenberg model
journal, September 2011