Solving Strength–Toughness Dilemma in Superhard Transition-Metal Diborides via a Distinct Chemically Tuned Solid Solution Approach

Solid solution strengthening enhances hardness of metals by introducing solute atoms to create local distortions in base crystal lattice, which impedes dislocation motion and plastic deformation, leading to increased strength but reduced ductility and toughness. In sharp contrast, superhard materials comprising covalent bonds exhibit high strength but low toughness via a distinct mechanism dictated by brittle bond deformation, showcasing another prominent scenario of classic strength–toughness tradeoff dilemma. Solving this less explored and understood problem presents a formidable challenge that requires a viable strategy of tuning main load-bearing bonds in these strong but brittle materials to achieve concurrent enhancement of the peak stress and related strain range. Here, we demonstrate a chemically tuned solid solution approach that simultaneously enhances hardness and toughness of superhard transition-metal diboride Ta(1−x)Zr(x)B(2). This striking phenomenon is achieved by introducing solute atom Zr that has lower electronegativity than solvent atom Ta to reduce the charge depletion on the main load-bearing B–B bonds during indentation, leading to prolonged deformation that gives rise to notably higher strain range and the corresponding peak stress. This finding highlights the crucial role of properly matched contrasting relative electronegativity of solute and solvent atoms in creating concurrent strengthening and toughening and opens a promising avenue for rational design of enhanced mechanical properties in a large class of transition-metal borides. This strategy of concurrent strength–toughness optimization via solute-atom-induced chemical tuning of the main load-bearing bonding charge is expected to work in broader classes of materials, such as nitrides and carbides.