• Energy Research

Abstract Undoped and 2% Ga-doped ZnO films have been deposited by RF magnetron sputtering onto single crystal Si (1 0 0) substrates equivalent to the commercial Si solar cells. The same films were also grown on amorphous silica substrates to complete their characterization. The films have been characterized by X-ray diffraction, electrical and optical measurements, X-ray photoelectron spectroscopy, Raman microspectroscopy and scanning and high-resolution transmission electron microscopy. Films present a very good quality crystalline wurtzite structure with the c -axis perpendicular to the substrate, with continuity of the (0 0 0 2) planes along the whole film, as shown by transmission electron microscopy. The doped sample shows an increase of two orders of magnitude of the electrical conductivity, an optical transmittance bigger than 85% along the visible spectrum, a diminution of the grain size in the direction parallel to the substrate and a lower surface roughness. The Ga-cations act only as substitutional impurities, they are homogeneously distributed in the whole film, maintaining the wurtzite structure and increasing the carrier density. The formation of any spurious phase or segregation of Ga 2 O 3 clusters that can act as carrier traps can be discarded. The characterization results allow us to conclude that the doped film has improved electrical and optical properties with respect to the undoped one. Therefore, the Ga-doped films are very suitable candidates as transparent conducting electrodes for solar cells, displays and other photoelectronic devices.

The magnetic properties of LiM0.5Mn1.5O4 (M=Ni and Cu) spinels, materials of interest as electrodes for Li-ion batteries, have been studied and interpreted with the help of the first-principles calculation method. The magnetic susceptibility of the Ni compound, that behaves virtually as stoichiometric normal spinel, is consistent with the well-established magnetic model of the spinel structure that leads to ferrimagnetism. However, the Cu spinel was oxygen deficient and showed significant divergences from this model. The ferromagnetic component of this spinel was dependent on the calcining temperature and was smaller to that predicted by the magnetic model. The special crystal structure of the spinel, namely, oxygen deficiency and increased occupancy of the tetrahedral sites by Cu ions, satisfactorily explains the more complex magnetic behavior observed, further supported by the results of the first-principles electronic structure computations.