High-entropy alloy inspired development of compositionally complex superhard (Hf,Ta,Ti,V,Zr)-B-N coatings

Abstract

Phase stability and mechanical properties of multimetal-boronnitride (Hf,Ta,Ti,V,Zr)-B-N is investigated by ab initio computations and experimental methods. (Hf,Ta,Ti,V,Zr)-B-N shows a strong energetic pref- erence for the fcc NaCl-type structure over other structures up to a B:N ratio of 3.5. Reactively deposited (Hf,Ta,Ti,V,Zr)-B-N coatings show formation of X-ray amorphous BN, accompanied by a drastic hardness decrease with increasing B content. But non-reactively sputtered (Hf,Ta,Ti,V,Zr)-B-N coatings exhibit a single-phase fcc solid solution, up to the maximum B:N ratio of 1.12 studied, in good agreement with cal- culations. All non-reactively sputtered multimetal-boronnitride coatings contain a high Zr metal-fraction and ?8at% C, stemming from impurities in the target. The single-phase coatings reach superhardness up to 46.3 GPa. Even after vacuum annealing to 1200°C, the hardness of the coating with a B:N ratio of 1.03 is still 43.7 GPa, while that of ZrN0.72C0.28 decreased from 36.3 to 30.2 GPa. Our results demonstrate the importance of the deposition technique to deposit single-phased coatings with exceptional hardness and thermal stability.