Filling the holes in the CaFe4As3 structure: Synthesis and magnetism of CaCo5As3

Ferrari Silveira Rosa, Priscila; Scott, Brian Lindley; Ronning, Filip; Bauer, Eric Dietzgen; Thompson, Joe David

doi:10.1103/PhysRevMaterials.1.024409

Title: Filling the holes in the ${CaFe}_{4} {As}_{3}$ structure: Synthesis and magnetism of ${CaCo}_{5} {As}_{3}$

Abstract

Here, we investigate single crystals of CaCo₅ As₃ by means of single-crystal x-ray diffraction, microprobe, magnetic susceptibility, heat capacity, and pressure-dependent transport measurements. CaCo₅ As₃ shares the same structure of CaFe₄ As₃ with an additional Co atom filling a lattice vacancy and undergoes a magnetic transition at T_M = 16 K associated with a frustrated magnetic order. CaCo₅ As₃ displays metallic behavior and its Sommerfeld coefficient (γ = 70 mJ/mol K²) indicates a moderate enhancement of electron-electron correlations. Transport data under pressures to 2.5 GPa reveal a suppression of T_M at a rate of - 0.008 K/GPa. First-principles electronic structure calculations show a complex three-dimensional band structure and magnetic moments that depend on the local environment at each Co site. Our results are compared with previous data on CaFe₄ As₃ and provide a scenario for a magnetically frustrated ground state in this family of compounds.

Authors:

^[1];

^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Publication Date:: Wed Jul 26 00:00:00 EDT 2017

Research Org.:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

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

OSTI Identifier:: 1481129

Alternate Identifier(s):: OSTI ID: 1372941

Report Number(s):: LA-UR-17-30511
Journal ID: ISSN 2475-9953; PRMHAR

Grant/Contract Number:: AC52-06NA25396

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review Materials

Additional Journal Information:: Journal Volume: 1; Journal Issue: 2; Journal ID: ISSN 2475-9953

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Material Science

Citation Formats


                    Ferrari Silveira Rosa, Priscila, Scott, Brian Lindley, Ronning, Filip, Bauer, Eric Dietzgen, and Thompson, Joe David. Filling the holes in the CaFe4As3 structure: Synthesis and magnetism of CaCo5As3.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevMaterials.1.024409.

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                    Ferrari Silveira Rosa, Priscila, Scott, Brian Lindley, Ronning, Filip, Bauer, Eric Dietzgen, & Thompson, Joe David. Filling the holes in the CaFe4As3 structure: Synthesis and magnetism of CaCo5As3.  United States.  https://doi.org/10.1103/PhysRevMaterials.1.024409

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                    Ferrari Silveira Rosa, Priscila, Scott, Brian Lindley, Ronning, Filip, Bauer, Eric Dietzgen, and Thompson, Joe David. Wed .  
"Filling the holes in the CaFe4As3 structure: Synthesis and magnetism of CaCo5As3".  United States.  https://doi.org/10.1103/PhysRevMaterials.1.024409.  https://www.osti.gov/servlets/purl/1481129.

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@article{osti_1481129,

  title        = {Filling the holes in the CaFe4As3 structure: Synthesis and magnetism of CaCo5As3},

  author       = {Ferrari Silveira Rosa, Priscila and Scott, Brian Lindley and Ronning, Filip and Bauer, Eric Dietzgen and Thompson, Joe David},

  abstractNote = {Here, we investigate single crystals of CaCo5 As3 by means of single-crystal x-ray diffraction, microprobe, magnetic susceptibility, heat capacity, and pressure-dependent transport measurements. CaCo5 As3 shares the same structure of CaFe4 As3 with an additional Co atom filling a lattice vacancy and undergoes a magnetic transition at TM = 16 K associated with a frustrated magnetic order. CaCo5 As3 displays metallic behavior and its Sommerfeld coefficient (γ = 70 mJ/mol K2) indicates a moderate enhancement of electron-electron correlations. Transport data under pressures to 2.5 GPa reveal a suppression of TM at a rate of - 0.008 K/GPa. First-principles electronic structure calculations show a complex three-dimensional band structure and magnetic moments that depend on the local environment at each Co site. Our results are compared with previous data on CaFe4 As3 and provide a scenario for a magnetically frustrated ground state in this family of compounds.},

  doi          = {10.1103/PhysRevMaterials.1.024409},

  journal      = {Physical Review Materials},

  number       = 2,

  volume       = 1,

  place        = {United States},

  year         = {Wed Jul 26 00:00:00 EDT 2017},

  month        = {Wed Jul 26 00:00:00 EDT 2017}

}

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Figures / Tables:

FIG. 1: Crystal structures of (a) CaFe₄As₃ and (b) CaCo₅As₃. The elements Ca, Co, Fe, and As are represented by blue, red, gold, and green spheres.

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Similar Records

Title: Filling the holes in the CaFe 4 As 3 structure: Synthesis and magnetism of CaCo 5 As 3

Abstract

Citation Formats

Figures / Tables:

Pressure and chemical substitution effects in the local atomic structure of BaFe 2 As 2 journal, May 2011

Generalized Gradient Approximation Made Simple journal, October 1996

Superconductivity at 38 K in the Iron Arsenide ( Ba 1 − x K x ) Fe 2 As 2 journal, September 2008

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

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Magnetic transition, long-range order, and moment fluctuations in the pyrochlore iridate Eu 2 Ir 2 O 7 journal, May 2011

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Chalcogen-Height Dependent Magnetic Interactions and Magnetic Order Switching in FeSe x Te 1 − x journal, February 2010

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Title: Filling the holes in the ${CaFe}_{4} {As}_{3}$ structure: Synthesis and magnetism of ${CaCo}_{5} {As}_{3}$

Pressure and chemical substitution effects in the local atomic structure of BaFe $_{2}$ As $_{2}$
journal, May 2011

Generalized Gradient Approximation Made Simple
journal, October 1996

Superconductivity at 38 K in the Iron Arsenide $({Ba}_{1 - x} K_{x}) {Fe}_{2} {As}_{2}$
journal, September 2008

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

Similarities between structural distortions under pressure and chemical doping in superconducting BaFe2As2
journal, May 2009

Magnetic transition, long-range order, and moment fluctuations in the pyrochlore iridate Eu $_{2}$ Ir $_{2}$ O $_{7}$
journal, May 2011

Magnetic pyrochlore oxides
journal, January 2010

Spin Disorder on a Triangular Lattice
journal, September 2005

Chalcogen-Height Dependent Magnetic Interactions and Magnetic Order Switching in ${FeSe}_{x} {Te}_{1 - x}$
journal, February 2010

Effects of chemical doping and pressure on CaFe $_{4}$ As $_{3}$
journal, September 2011

Strong Correlations and Magnetic Frustration in the High $T_{c}$ Iron Pnictides
journal, August 2008

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Observation of Weyl nodes in TaAs
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