Filling the holes in the ${\mathrm{CaFe}}_4{\mathrm{As}}_3$ structure: Synthesis and magnetism of ${\mathrm{CaCo}}_5{\mathrm{As}}_3$

Journal Article · 25 July 2017 · Physical Review Materials

DOI: https://doi.org/10.1103/PhysRevMaterials.1.024409 · OSTI ID:1481129

Ferrari Silveira Rosa, Priscila  ^[1]; Scott, Brian Lindley  ^[1]; Ronning, Filip  ^[1]; Bauer, Eric Dietzgen  ^[1]; Thompson, Joe David  ^[1]

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

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.

• Research Organization: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Grant/Contract Number: AC52-06NA25396
• OSTI ID: 1481129
• Alternate ID(s): OSTI ID: 1372941
• Report Number(s): LA-UR--17-30511
• Journal Information: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 2 Vol. 1; ISSN PRMHAR; ISSN 2475-9953
• Publisher: American Physical Society (APS)Copyright Statement
• Country of Publication: United States
• Language: English