CrMoNbTaV Refractory High‐Entropy Alloy: From Bulk Material to Films via a Synergistic Theoretical–Experimental Approach

Fundamental research of the physical and/or chemical properties of refractory high‐entropy alloys (RHEAs) is essential for achieving high‐temperature applications or multifunctional materials, among other purposes. In this work, a synergistic theoretical‐experimental approach simplifies the planning, synthesis, characterization, and analysis of the atomic structure of films composed of the custom‐designed Cr 8 Mo 25 Nb 27 Ta 16 V 24 RHEA, which has a main body‐centered cubic (BCC) crystalline structure. Coupling between thermodynamic calculations and out‐of‐equilibrium melting and cooling processes enables the design and elaboration of the target, which had a high microhardness value of 608 ± 17 HV. The planned characteristics of this bulk material serve as the basis for film production. Magnetron sputtering provides high control in deposition. The approach also avoids the trial‐and‐error experiments. As a result, RHEA films exhibit high crystallinity, flatness, reduced mechanical stresses, and low oxidation. Structural analyses of the films reveal the expected two major BCC crystalline phases ( a = b = c = 3.140 Å) and a minority body‐centered tetragonal (BCT) phase ( a = b = 3.200 Å and c = 3.520 Å). The synergistic approach followed in this investigation can be applied to other RHEAs to develop tailor‐made bulk or nanostructured systems.