Filling the holes in the CaFeAs structure: synthesis and magnetism of CaCoAs
arXiv:1711.08402 · doi:10.1103/PhysRevMaterials.1.024409
Abstract
Here we investigate single crystals of CaCoAs by means of single crystal X-ray diffraction, microprobe, magnetic susceptibility, heat capacity, and pressure-dependent transport measurements. CaCoAs shares the same structure of CaFeAs with an additional Co atom filling a lattice vacancy and undergoes a magnetic transition at K associated with a frustrated magnetic order. CaCoAs displays metallic behavior and its Sommerfeld coefficient ( mJ/mol.K) indicates a moderate enhancement of electron-electron correlations. Transport data under pressures to GPa reveal a suppression of at a rate of K/GPa. First-principle electronic structure calculations show a complex 3D band structure and magnetic moments that depend on the local environment at each Co site. Our results are compared with previous data on CaFeAs and provide a scenario for a magnetically frustrated ground state in this family of compounds.