Filling the holes in the CaFe 4 As 3 structure: Synthesis and magnetism of CaCo 5 As 3
Here, we investigate single crystals of CaCo 5 As 3 by means of single-crystal x-ray diffraction, microprobe, magnetic susceptibility, heat capacity, and pressure-dependent transport measurements. CaCo 5 As 3 shares the same structure of CaFe 4 As 3 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. CaCo 5 As 3 displays metallic behavior and its Sommerfeld coefficient (γ = 70 mJ/mol K 2 ) 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 CaFe 4 As 3 and provide a scenario for a magnetically frustrated ground state in this family of compounds.