Anisotropic electronic structure study of MgB2C2 using soft X-ray emission 0spectroscopy microscopes.

Abstract

The anisotropic electronic structure of MgB2C2 was studied using soft X-ray emission spectroscopy electron microscopes. MgB2C2 fragments were selected by examining C K-emission profiles. C and B K-emission and Mg L-emission spectra were obtained, revealing common and distinct structures that reflect the mixing of valence orbitals. Since the material is reported to have two-dimensional B-C honeycomb layers, the orientational dependence of these emission spectra was also examined. Experimental data were compared with theoretically calculated partial density of states of the valence bands of the material. The C K-emission profile showed an apparent orientational dependence, while the B K-emission exhibited minimal dependence. This difference originated from the different energy distributions of C-2pz and B-2pz components in the valence bands. The Mg L-emission intensity was very small, likely due to charge transfer from Mg atoms to B-N layers. The Mg L-emission profile showed a peak related to structures in C-K and B-K. An unexpected intensity was observed just above the valence bands, which also showed orientational dependence, possibly due to a small deviation from the ideal composition of Mg:B:C = 1:2:2.