X-ray absorption spectroscopy study of cobalt mononitride thin films

Abstract

We present a comprehensive study to resolve the debate about the structure of cobalt mononitride (CoN). In contradiction with theoretical predictions, experimentally CoN has been claimed to synthesize in a rock-salt (RS) and in a zinc-blende (ZB)-type structure under ambient pressure and temperature. Utilizing X-ray absorption near-edge spectroscopy (XANES) at Co and N K-edges and extended X-ray absorption fine structure (EXAFS) at Co K-edge, we investigated the structure of CoN in detail. The presence of a strong pre-edge feature at the Co K-edge and the absence of t $$_2$$ feature at the N K-edge indicate towards the tetrahedral coordination that is expected in the ZB-type structure of CoN. Theoretical simulations of XANES spectra unambiguously confirm the ZB-type structure in CoN. Also from EXAFS data, we found that Co–N and Co–Co bond distances match well with ZB-CoN. Magnetic properties of CoN were examined using polarized neutron reflectivity and bulk magnetization measurements. It was found that CoN sample exhibits a paramagnetic behaviour as expected in ZB-CoN. Obtained results clearly demonstrate that CoN indeed crystalizes in the ZB-type structure, and the possibility of the RS-type CoN can be ruled out under ambient pressure and temperature. It is anticipated that the information about the structure of CoN can be utilized for its usage in emerging areas such as low-cost catalyst in oxygen and hydrogen evaluation reactions, high capacity anode in ion batteries and in photovoltaic applications.