RESUMEN
The complex structure of Ta2O5 led to the development of various structural models. Among them, superstructures represent the most stable configurations. However, their formation requires kinetic activity and long-range ordering processes, which are hardly present during physical vapor deposition. Based on nano-beam X-ray diffraction and concomitant ab initio studies, a new metastable orthorhombic basic structure is introduced for Ta2O5 with lattice parameters a = 6.425 Å, b = 3.769 Å and c = 7.706 Å. The unit cell containing only 14 atoms, i.e. two formula unit blocks in the c direction, is characterized by periodically alternating the occupied oxygen site between two possible positions in succeeding 002-planes. This structure can be described by the space group 53 (Pncm) with four Wyckoff positions, and exhibits an energy of formation of -3.209 eV atom-1. Among all the reported basic structures, its energy of formation is closest to those of superstructures. Furthermore, this model exhibits a 2.5 eV band gap, which is closer to experimental data than the band gap of any other basic-structure model. The sputtered Ta2O5 films develop only a superstructure if annealed at temperatures >800 °C in air or vacuum. Based on these results and the conveniently small unit cell size, it is proposed that the basic-structure model described here is an ideal candidate for both structure and electronic state descriptions of orthorhombic Ta2O5 materials.
RESUMEN
Transition metal nitrides like CrN and TiN are widely used in automotive applications due to their high hardness and wear resistance. Recently, we showed that a multilayer architecture of CrN and TiN, deposited using the hybrid-high power impulse magnetron sputtering (HIPIMS) and direct current magnetron sputtering (DCMS)-HIPIMS/DCMS deposition technique, results in coatings which indicate not only increased mechanical and tribological properties but also friction coefficients in the range of diamond-like-carbon coatings when tested at RT and ambient air conditions. The modulated pulsed power (MPP) deposition technique was used to replace the HIPIMS powered cathode within this study to allow for a higher deposition rate, which is based on the complex MPP pulse configuration. Our results on MPP/DCMS deposited CrN/TiN multilayer coatings indicate excellent mechanical and tribological properties, comparable to those obtained for HIPIMS/DCMS. Hardness values are around 25 GPa with wear rates in the range of 2 × 10-16 Nm/m3 and a coefficient of friction around 0.05 when preparing a superlattice structure. The low friction values can directly be correlated to the relative humidity in the ambient air during dry sliding testing. A minimum relative humidity of 13% is necessary to guarantee such low friction values, as confirmed by repeated tests, which are even obtained after vacuum annealing to 700 °C. Our results demonstrate that the co-sputtering of high metal ion sputtering techniques and conventional DC sputtering opens a new field of applications for CrN/TiN coatings as high wear resistance and low friction coatings.
