We present an incisive spectroscopic technique for directly probing redox orbitals based on bulk electron momentum density measurements via high-resolution x-ray Compton scattering. Application of our method to spinel Li_{x}Mn_{2}O_{4}, a lithium ion battery cathode material, is discussed. The orbital involved in the lithium insertion and extraction process is shown to mainly be the oxygen 2p orbital. Moreover, the manganese 3d states are shown to experience spatial delocalization involving 0.16±0.05 electrons per Mn site during the battery operation. Our analysis provides a clear understanding of the fundamental redox process involved in the working of a lithium ion battery.

We compare two Co/Pd multilayers with correspondingly smooth and rough interfaces. The first is a Co (1.5 nm)/Pd (2.6 nm) multilayer with a smooth interface deposited by the MBE technique, and the second is a Co (1.6 nm)/Pd (4.0 nm) multilayer with a rough interface deposited by the sputter technique. Both multilayers have almost the same perpendicular magnetic anisotropy energy, 1.15 Merg/cc for the Co (1.5 nm)/Pd (2.6 nm) multilayer and 1.20 Merg/cc for the Co (1.6 nm)/Pd (4.0 nm) multilayer, respectively. The symmetry of the wave function, which is measured using the magnetic Compton profile, is almost the same for both multilayers. This suggests that the smooth interface controls the wave function and enhances the PMA energy even if the Co/Pd multilayer has a thinner Pd layer.

The effects of strain and interface roughness at the Co/Pd interface are investigated from the viewpoint of perpendicular magnetic anisotropy (PMA) using the DV-Xα cluster model calculation method. It is found that spin projected occupation number ratio of magnetic quantum number |m| = 2 for the Co 3d electrons enhances by expanding the lattice within a close-packed plane of fcc stacking and, hence, enhances the PMA. Rough interface decreases the spin projected occupation number ratio of |m| = 2 and, hence, decreases the PMA. These results explain the PMA properties of Co/Pd multilayers fabricated using molecular beam epitaxy (MBE) technique and RF sputtering techniques.

No abstract

No abstract