First Approach to ZrB2 Thin Films Alloyed with Silver Prepared by Magnetron Co-Sputtering

Abstract

Hexagonal ZrB2 belongs to the group of ultra-high temperature ceramics representing an important class of materials with the potential to meet the high demands of today’s industry. However, this potential is limited by inherent brittleness and poor tribological properties. Here, the combination of density functional theory and experiment is used to investigate the effect of silver alloying on the mechanical and tribological properties of hexagonal ZrB2 thin films. Calculations indicate strong insolubility of Ag atoms in the ZrB2 metal sublattice and a significant effect on the mechanical properties, pointing out an improvement in ductility and tribological properties but at the cost of reduced hardness. The experiments confirmed the theoretical predictions of the strong insolubility of silver, where the magnetron-sputtered Zr1−xAgxB2+Δ films form a segregated nanostructure consisting of separated hexagonal ZrB2 and cubic Ag phases. With increased Ag content, values of Young’s modulus decrease from EZrB2.31 = 375 GPa to EZr0.26Ag0.74B0.89 = 154 GPa, followed by a decrease in hardness from HZrB2.31 = 30 GPa to a value of HZr0.26Ag0.74B0.89 = 4 GPa. The suppression of crack formation is also shown with the material flow around cube corner indents, indicating enhanced ductility. The improvement of tribological properties was also confirmed when the coefficient of friction (COF) was reduced from COFZrB2.31 ~0.9 to a value of COFZr0.26Ag0.74B0.89 ~0.25 for all counterpart materials—steel (100Cr6), Si3N4, and WC/Co.