Hf Atoms Research Articles

Formation of structural-phase state of Ti–Al materials with Hf-additives obtained by hydride technology

The paper describes the structural and phase composition of TiHf50, AlHf50, TiAl49Hf2 composite materials obtained by the “hydride” technology. A three-component phase diagram for Ti-Al-Hf at 1150°C is constructed. The structural state of TiAl49Hf2 alloys was predicted based on reference lattices found in the USPEX code with the VASP interface; quantum-chemical calculations of the TiAl49Hf2 energy were additionally performed in the CASTEP code. It is shown that solid solutions dominate in the TiAl49Hf2 alloy sample, in which the main elements dominate: Al10 – Ti9Al23 – Ti8. Hf atoms can be introduced into the interstitial sites [-0.257 0.042 0.2545] (St-Hf-27), [0.0053 -0.0120 -0.0765] (St-Hf-143), [0.5 0.5 0.5] (St-Hf). The introduction of hafnium into the specified lattice sites does not violate the stabilizing effect in the TiAl49Hf2 systems. It is shown that the maximum microhardness value (4.9 GPa) was obtained when testing the TiHf50 sample (for comparison: for the TiAl50 system – 1.2 GPa, for the TiAl49Hf2 system – 2.2 GPa).

The origin of ferroelectricity in HfO2 from orbital hybridization and covalency

Fluorite-structured HfO2 ferroelectrics exhibit remarkable ferroelectricity owing to the robust thickness scalability, rendering them promising for next-generation ferroelectric memories. Unlike the well-understood perovskite structured ferroelectrics, such as Pb(Zr,Ti)O3, the origin of ferroelectricity in HfO2 remains elusive, which impedes the experimental fabrication of pure and stable ferroelectric orthorhombic phase in films. This study seeks to elucidate its origin by analyzing the covalent nature of local chemical bonding and changes in orbital hybridization and by catching the typical feather of the half-unit-cell spacer/polar layer in the orthorhombic phase. Notably, we find that the differences in the hybridization intensity of the 2s orbitals of two types of O atoms (OI and OII) and 5d orbitals of Hf atoms play a crucial role in inducing ferroelectric distortion. Furthermore, we demonstrate that the intrinsic mechanisms of stress in enhancing the ferroelectricity of HfO2 originate from the modulation of orbital hybridization intensity of the Hf–O bonds. These insights provide a vital theoretical foundation for further exploration of ferroelectric phase transitions and property modulation in HfO2 and similar fluorite-structured ferroelectrics.

Atomically L12 ordered (PtHf)x(NiTi)100-x/CNT as bifunctional catalysts for hydrogen evolution reaction and methanol oxidation reaction with high activity and durability

Instead of a sluggish oxygen evolution reaction (OER), a methanol oxidation reaction (MOR) is combined with a hydrogen evolution reaction (HER) for efficient hydrogen production. Here, by data-driven and density functional theory (DFT) calculation, we establish a combined theoretical–and experimental strategy for designing L12 ordered structures. Based on L12-PtNiTi, Hf element is added. Hf atoms occupy the α-site (face-centered site of FCC) with Pt. Ni atoms occupy the β-site (corner site of FCC) with Ti. The (PtHf)x(NiTi)100-x nano-alloy maintains L12 structure, enhancing intrinsic anti-poisonous performance and reducing Pt content. L12 (PtHf)50(NiTi)50/CNT exhibits an overpotential of 19 mV for HER and a mass activity of 4.725 A/mgPt for MOR in acidic electrolyte. For coupling HER with MOR, the working voltage is merely 0.55 V at 10 mA cm−2. It is demonstrated by DFT calculations that ordered (PtHf)50(NiTi)50/CNT has superior electrocatalytic performance attributed to smaller H adsorption energy, stronger OH binding energy and weaker CO adsorption energy.

Magnetic splitting induced ferromagnetism in chromium-doped HfSe2

Two-dimensional (2D) magnetic layered materials have gained significant interest in spintronic for memory storage devices. Herein, the electronic and magnetic properties of high-quality single crystals of chromium (Cr)-doped hafnium diselenide were studied. The electronic study indicated that the Cr-doped HfSe2 reveals the semiconducting nature with a proper bandgap as identified by angle-resolved photoemission spectroscopy and first-principle density functional theory (DFT) calculations. The magnetic results indicate that the HfSe₂ exhibited ferromagnetic characteristics with the substitution of Cr atoms in a perpendicular direction. The Cr-doped HfSe2 sample shows a ferromagnetic phase below ∼58 K, indicating the critical temperature (Tc) of magnetic order, while above this temperature, it shows a paramagnetic phase that can follow the Curie-Weiss Law. It can be seen that the magnetic moment is approximately 0.16 emu/g at 5 K, which further decreases with increasing temperature until 60 K and then transforms to a paramagnetic phase. The sample can clearly show a weak out-of-plane magnetic anisotropy with a coercivity of around 50.56 Oe and a saturation magnetization value of 0.029 emu/g. Convincingly, it was observed from the ARPES results that the valence band is split due to the spin-orbit interaction of Cr atoms, which can induce ferromagnetic order. At the same time, the temperature-dependent ARPES data shows that the splitting is higher below the Tc, while it is weaker above the Tc. The DFT results revealed that near the Fermi level, the spin-up and spin-down are spin-polarized with asymmetric trends. It can be observed that substituting Cr on the octahedral sites of Hf atoms influences the electron spin order created by Hf vacancies (as validated by the magnetic coupling measured by electron paramagnetic resonance spectroscopy experiments), which can change the magnetic alignment to induce the magnetism in HfSe2. This study highlights that doping transition metal in HfSe2 has promising potential for future applications, especially in memory devices and spintronic technologies.

Investigating the adsorption performance of agricultural greenhouses hazardous gases on Rh doped HfX2 (X=S, Se) monolayers through DFT for potential gas sensor applications

This study uses density functional theory to study the adsorption performance of agricultural greenhouses hazardous gases on Rh doped HfX2 (X=S, Se) monolayers. After multiple geometric optimizations, the most stable adsorption configuration was found. The results indicate that the adsorption energy of Rh doped HfX2 monolayers is very stable for adsorbing small molecule gases. The change in the total density of states of the adsorption system reveals the transfer and recombination of electrons during the adsorption process, and the partial density of states helps to understand the interactions between bonding atoms. Molecular orbital analysis shows that LUMO is mainly concentrated near Hf atoms, while HOMO is mainly concentrated near X atoms, Rh atom, and gases. By calculating the work function, the interaction strength and electron transfer mechanism between the adsorbent and the metal surface are revealed. In addition, the recovery time indicates that HfX2 and Rh-HfSe2 are excellent adsorbents for these four gases at room temperature, but when HfS2 operates at 473 K, it will be an efficient and excellent gas sensor for the four gases. Thus, Rh-HfS2 can be a feasible resistance sensing material for Cl2 and SO2. This DFT results provide a theoretical basis for potential gas sensor applications of Rh doped HfX2 (X=S, Se) monolayers, leading to the design and development of more efficient greenhouse gas identification sensor devices.

Atomistic Simulation of Hf-Pyridyl Amido-Catalyzed Chain Transfer Alkene Polymerization Reaction and Its Machine Learning for Extraction of Essential Descriptors: Effect of Microscopic Steric Hindrance on the Monomer Insertion Process.

The microscopic effects of each substituent of the Hf catalyst and the growing polymer on the monomer insertion process were investigated for Hf-pyridyl amido-catalyzed coordinative chain transfer polymerization using the Red Moon method. Since the Hf catalyst has two reaction sites, cis- and trans-sites, we separately applied the appropriate analysis methods to each one, revealing that the naphthalene ring influenced monomer insertion at the cis-one, while the i-Pr group and the hexyl group of the adjacent 1-octene unit did the trans-one. It was interesting to find that the hexyl group of the 1-octene-inserted catalyst (oHfCat) pushes the naphthalene ring toward the cis-site and narrows the space at the cis-site, thus indirectly creating a steric hindrance to cis-insertions. Further, the relative position of the Hf catalyst and the growing polymer was found to be strongly influenced by the patterns of insertion reactions, i.e., cis- or trans-insertions. In particular, it was clarified that, after trans-insertions, the growing polymer on the Hf atom covers the cis-site, making cis-insertion less likely to occur. These studies reveal the microscopic effects of the catalyst substituents and the growing polymer on the catalyst during the polymerization reaction process; these microscopic analyses using the RM method should provide atomistic insights that are not easy to obtain experimentally for advanced catalyst design and polymerization control.

New Data on the Reactions of Zirconium and Hafnium Tetrachlorides with Aliphatic Acids

The reaction of ZrCl4 or HfCl4 with excess 2-methylpropanoic acid when boiling under reflux has been studied. The formation of polynuclear Zr and Hf complexes of the composition M2O(i-C3H7CO2)6 during prolonged reflux of the reaction mixtures was found. The complexes are very sensitive to hydrolysis, forming hexanuclear [M6(O)4(OH)4(i-C3H7CO2)12]. The reactions have a general character for aliphatic acids and can be used as an alternative to the known methods for the synthesis of polynuclear carboxylate clusters of Group 4 metals. The crystal and molecular structures of previously undescribed {[Hf6(μ3-O)4(μ3-OH)4(i-C3H7CO2)12(H2O)]·3i-C3H7COOH} have been determined. The molecular structure is a completely asymmetric hexanuclear cluster containing six Hf(IV) atoms united by a 4:4 μ3-O/OH system of bridges, and stabilized by twelve 2-methylpropanoate ligands, eight of which are bidentate bridging, three are chelating, and one is monodentate. The crystal structure of the complex includes three independent solvating 2-methylpropanoic acid molecules. The obtained IR spectroscopy data make it possible to determine the type of complexes in the reaction mixture. The results of the study may be useful for improving the catalytic systems for ethylene oligomerization.

A first-principles study of HfB2 anisotropic surface stability and its oxygen adsorption behavior

In this work, the HfB2 anisotropic surface stability, and the adsorption behavior of oxygen molecule on the most likely exposed HfB2 surface were investigated based on density functional theory. The study found that the HfB2(0001) surface terminated by Hf (labeled as: Hf-(0001)) is more stable, and more likely interact with oxygen. By rotating the oxygen molecule orientation and changing the adsorption site, all possible high and low-symmetry adsorption configurations are considered. The results show that the low symmetry structure is unstable, and eventually turn into the high symmetry ones. For the highly symmetric structures, oxygen molecule tends to be adsorbed in parallel, and the dissociated oxygen molecule tends to be located at the bridge and hollow site of the Hf-(0001) surface, and there is no energy barrier to this process. Charge density difference and partial density of states proved that oxygen absorbed structures present similar electronic interaction characteristics, and oxygen adsorption process mainly affects the Hf atom at the outmost layer of the Hf-(0001) plane. Oxygen atoms bind to the Hf-(0001) surface mainly in the form of ionic bonds and covalent bonds, originating from the orbital hybridization of O-p and Hf-d. The oxidation of HfB2 starts from the interaction between oxygen and Hf.

Study on hydrogen desorption of ZrCoH3 promoted by doping Hf and Ti with DFT

This work aims to provide new insights into the hydrogen evolution of ZrCoH3. The transition metal elements Hf and Ti are designed to be added to ZrCoH3 by occupying Co atoms, Zr atoms, and interstitial sites. The effects of Hf and Ti atoms on the hydrogen evolution of ZrCoH3 are investigated through a first-principles study. The results show that the doping of Hf and Ti atoms can effectively improve the hydrogen desorption ability of ZrCoH3, which is related to the weak Co–H covalent interaction in the doping system, metallic properties, and the formation of Hf/Ti–H bonds. Hf atom doping has the best catalytic effect on the dehydrogenation of ZrCoH3, and the Hf atom can easily enter the ZrCoH3 body to form the Zr16Co16HfH48 compound. Although the Zr15Co16HfH48 compound has a low hydrogen dissociation energy and exhibits good hydrogen desorption performance, it requires a high energy cost when Hf occupies the Zr site in practical applications. When doped with the same element, the occupancy energy and hydrogen dissociation energy are inversely related. The hydrogen dissociation energy of ZrCoH3 is negatively correlated with the electronegativity of the dopant atom, namely, the lower the electronegativity of the dopant atom, the smaller the hydrogen dissociation energy of the system. This study confirms by simulation calculations that the use of low electronegativity metals to recombine with ZrCoH3 is an effective way to achieve ZrCoH3 destabilization.

Single atom catalysts with anion center toward oxygen electrocatalysis based on the conductive 1T-HfTe2

Advancing efficient catalysts for oxygen reduction reaction (ORR) or oxygen evolution reaction (OER) is imperative for commercializing emerging energy devices. Using density functional theory (DFT) calculations, we propose doping different transition metal (TM) atoms to regulate the electronic structures of the two-dimensional 1T-HfTe2 monolayer to achieve bifunctional catalysis for the ORR/OER. Due to the small electronegativity of the Hf atom, we found the doped TM atoms can generally form anion centers by accepting abundant charges from the Hf interlayer. At the same time, the highly conductive 1T-HfTe2 contributes to the charge transfer between the active center and the reaction intermediates, rendering the designed SACs the tunable activity for the reactions. By comparing the theoretical overpotentials of ORR and OER on 15 single-atom catalysts (SACs), Pt-doped system exhibits excellent catalytic activity for both ORR and OER, outperforming the traditional Pt(111) and RuO2(110) catalysts. Based on the charge transfer mechanism, we clarified that the doped TM atoms act as a ‘bridge’ to transfer the electrons from the substrate to the reaction intermediates, thereby effectively contributing to the improvement of catalytic activity. In summary, our study shows that, by doping appropriate TM atoms, the intrinsic inert HfTe2 can be activated toward efficient ORR/OER. This could provide some guidance for the design of new two-dimensional ORR/OER bifunctional catalyst materials.

Preliminary study of the effect of Sn addition on microstructure and creep resistance of a β-solidifying TiAl alloy

In the present work, two β-solidifying γ-TiAl based intermetallic alloys doped with Nb, Zr, Hf (designated TNZ γ-TiAl alloy) and additionally Sn (designated TNZ-Sn) were investigated. Sn is known to be widely used as an alloying element in titanium alloys but almost has not been used for γ-TiAl alloys. In contrast to Nb, Zr and Hf atoms occupying only or preferentially the Ti sublattice, Sn atoms occupy the Al sublattice because Al and Sn belong to the same group of post-transition metals. Two microstructural conditions per alloy, duplex and fully or near lamellar, were obtained in the alloys by upset forging and heat treatments. Microstructure examination by SEM and XRD analysis revealed two basic phases in both alloys, γ-TiAl and α2-Ti3Al. The feature of the Sn-containing alloy was the presence of a small amount (0.5–1.5 vol%) of the phase enriched with Sn, Zr and Hf and located along grain/colony boundaries. After upset forging and heat treatment this phase had the average chemical composition 60(Ti + Nb + Zr + Hf)-40(Al + Sn) (at.%) and was identified as the α2 phase enriched with Sn, Zr and Hf and depleted with Al. The creep tests were performed for the produced microstructural conditions of the alloys. It was revealed that doping with Sn led to a strong increase in the creep resistance at 800 and 850 °C. The obtained effect was attributed to solid solution hardening due to substitution of Al by Sn and probably to a more ionic interatomic bonding taking into consideration an appreciably higher electronegativity of tin as compared to that of other alloying elements.

Introducing hafnium to atomically small- and medium-sized tin clusters (HfSnn0/-/2- (n = 4–17)): A computational investigation of geometrical and growth behavior, spectral properties, electronic configuration and thermochemistry

The global and local minimum configurations of single Hf atom doped Sn clusters are conducted via density function theory (DFT) combined with artificial bee colony algorithm (ABCluster). Furthermore, DFT method is also used to systematically investigate on their structural growth evolution, spectral and electronic information, thermochemical properties following the size of tin clusters doped Hf atom. Structurally, the ground-state geometries of neutral, anion and di-anion are discovered that, from n = 4, the number of Sn atoms in cluster, HfSnn0/-/2- adsorb additional Sn atom on the prior architecture one by one until forming n = 17 for HfSnn-10/-, as well as forming n = 16 for HfSnn-12-. And for the HfSn110/- and HfSn102- as beginning the species veritably develop sealed architectures. The strongest vibrational modes of sealed nanoclusters are stretching modes of Hf atom with infrared actives and breathing modes of the Sn cage framework with Raman actives, respectively. The natural population analysis (NPA) elucidates the stronger relationship between the Hf atoms and the tin frameworks in sealed clusters than that in unsealed clusters. The results of thermochemical properties, molecular orbital shell (MOs), adaptive natural density partitioning (AdNDP) and ultraviolet visible absorption spectrum (UV–Vis) indicate that, the HfSn16 with high symmetry of Td exhibits thermochemical stability and optoelectronic properties, which is utilized potentially as zero-dimensional unit of self-assembling fluorescent nanomaterials.

Effect of Hf addition on structural transformation and aging stability of Cu–15Ni–8Sn alloy

The Cu–15Ni–8Sn-xHf (wt.%, x = 0–0.6) alloys were prepared by vacuum melting, and the effect of Hf on the micro-structure of as-cast, as-solution-treated and as-aged alloys was systematically investigated, as well as the alloy aging stability. The Hf addition provided a significant role on refining the solidification structure and reducing the micro-segregation degree, and it also made γ-D03 phases more likely to form in needlelike-shape rather than lamellar-shape. With the presence of more Hf atoms, their existence form was accordingly changed from solid solute atoms to nano-scale precipitation phases and then to micron-scale segregation phase. A small content of Hf (0.1 wt%) could effectively improve the aging stability by inhibiting the growth of γ-D03. Once its content reached or exceeded 0.3 wt%, the harmful discontinuous precipitation was completely inhibited, and the common lamellar-shape γ-D03 locating around the grain boundary was no longer formed. Even the alloy failed at higher temperatures, it could only be carried out through the continuous precipitation method, namely the generation of needlelike-shape γ-D03 uniformly in the matrix. The appropriate Hf addition was capable of extending the alloy aging window, and the hardness of Cu–15Ni–8Sn-0.3Hf alloy could still exceed 360 HV even after 48 h aging.

Stoner instability-mediated large magnetoelectric effects in 2D stacking electrides

Strong magnetoelectric effects in single-phase two-dimensional (2D) materials are extremely rare in nature. Here by first-principles calculations, we find a strong magnetoelectric coupling in polar stacking bilayer Hf2S that allows the reversal of net magnetic moments with the reversal of electric dipoles. Further analysis shows that such strong magnetoelectric effects benefit from the Stoner instability of surface Hf atoms triggered by polar stacking. Moreover, an unexpectedly large out-of-plane electric polarization (which is at least two times larger than that of bilayer BN) survives in the material, despite its metallicity. The large electric polarization is ascribed to the delocalized interlayer electrons which generally present in layered electride materials. It is quite interesting that large electric polarization, metallicity and magnetism coexist in one single-phase material. Our findings reveal rich physical phenomena to be explored in 2D stacking multiferroics and suggest an alternative way of searching for strong magnetoelectric materials with ultrathin thickness.

Improving Photocatalytic activity of (100) and (111) TiO2 nanosheets by coupling with ZrO2 and HfO2 nanosheets; A DFT-U study

In this work, density functional theory was employed to study the enhancement of the photocatalytic efficiency of TiO2 nanosheets by doping it with Zr and Hf atoms and coupling it with ZrO2 and HfO2 nanosheets. The (111) TiO2 was found to be more efficient than the (100) TiO2 nanosheet due to its narrower bandgap and larger specific surface area. Hf doping was found to improve the photocatalytic efficiency of (111) TiO2 nanosheet, whereas Zr doping may lead to limitations. The study also demonstrated that the most effective type II heterojunctions were formed by combining pristine and Zr-doped (101) HfO2 nanosheets with pristine, Zr-, and Hf-doped (111) TiO2 nanosheets.

A DFT study of (La2O3)n clusters and effect of Ba, Y and Hf doping for their optoelectronic applications

( La 2 O 3 ) n (n=1-5) clusters have been computationally studied using DFT and TDDFT with B3LYP functional under hybrid GGA approximation and LANL2DZ basis set. The doping effect of various elements like Ba, Y and Hf on the structural, electronic and non-linear optical (NLO) properties of ( La 2 O 3 ) n clusters has been studied for finding their optoelectronic applications. Different optimised geometries of ( La 2 O 3 ) n and Ba, Y and Hf doped ( La 2 O 3 ) n clusters have been obtained. HOMO-LUMO gap ( Δ E ) and chemical hardness (τ) of ( La 2 O 3 ) n clusters decreases significantly with doping of Ba, Y and Hf atoms making these clusters very reactive. Refractive index and the absorption in UV–VIS region of electromagnetic spectra of Ba, Y and Hf doped ( La 2 O 3 ) n clusters increases as compared to ( La 2 O 3 ) n clusters making these clusters suitable to be used as additives in the manufacturing of various types of glasses. Also, dielectric constant (ϵ) of Ba, Y and Hf doped ( La 2 O 3 ) n clusters increases finding their applications to be used in the oxide layer of MOSFETs.

Liquid Metal Doping Induced Asymmetry in Two-Dimensional Metal Oxides.

The emergence of ferroelectricity in two-dimensional (2D) metal oxides is a topic of significant technological interest; however, many 2D metal oxides lack intrinsic ferroelectric properties. Therefore, introducing asymmetry provides access to a broader range of 2D materials within the ferroelectric family. Here, the generation of asymmetry in 2D SnO by doping the material with Hf0.5Zr0.5O2 (HZO) is demonstrated. A liquid metal process as a doping strategy for the preparation of 2D HZO-doped SnO with robust ferroelectric characteristics is implemented. This technology takes advantage of the selective interface enrichment of molten Sn with HZO crystallites. Molecular dynamics simulations indicate a strong tendency of Hf and Zr atoms to migrate toward the surface of liquid metal and embed themselves within the growing oxide layer in the form of HZO. Thus, the liquid metal-based harvesting/doping technique is a feasible approach devised for producing novel 2D metal oxides with induced ferroelectric properties, represents a significant development for the prospects of random-access memories.

Hf and Co Dual Single Atoms Co-Doped Carbon Catalyst Enhance the Oxygen Reduction Performance.

Single-atom metal-doped M-N-C (M═Fe, Co, Mn, or Ni) catalysts exhibit excellent catalytic activity toward oxygen reduction reactions (ORR). However, their performance still has a large gap considering the demand for their practical applications. This study reports a high-performance dual single-atom doped carbon catalyst (HfCo-N-C), which is prepared by pyrolyzing Co and Hf co-doped ZIF-8 . Co and Hf are atomically dispersed in the carbon framework and coordinated with N to form Co-N4 and Hf-N4 active moieties. The synergetic effect between Co-N4 and Hf-N4 significantly enhance the catalytic activity and durability of the catalyst. In an acidic medium, the ORRhalf-wave potential (E1/2) of the catalyst is up to 0.82V , which is much higher than that of the Co-N-C catalyst without Hf co-doping (0.80V). The kinetic current density of the catalyst is up to 2.49Acm-2 at 0.85V , which is 1.74 times that of the Co-N-C catalyst without Hf co-doping. Moreover, the catalyst exhibits excellent cathodic performance in single proton exchange membrane fuel cells and Zn-air batteries. Furthermore, Hf co-doping can effectively suppress the formation of H2O2, resulting in significantly improved stability and durability.

Construction of zirconium/hafnium-oxo clusters based on a new protection-calix[8]arene.

Calix[8]arene has been used as a promising type of macrocyclic ligand for the construction of multinuclear metal-oxo clusters (MOCs), but not for zirconium/hafnium-oxo clusters (Zr/HfOCs). In this paper, we report the first series of ZrOCs (HfOCs) based on calix[8]arene: Zr4, Zr8, Hf4, and Hf8. Zr8/Hf8 has a rhombohedral conformation and can be regarded as a derivative of the octahedral Zr6 cluster. Remarkably, I2 adsorption experiments indicate that Zr4 (Zr8) adsorbs much faster than Hf4 (Hf8). Density functional theory (DFT) calculations show that metallic Zr atoms interact more strongly with I2 than metallic Hf atoms. The successful application of calix[8]arene for the synthesis of well-defined ZrOCs (HfOCs) shows a bright future for MOCs protected by macrocyclic ligands.

Improvement of structures and properties of hafnium nitride coatings by yttrium introduction

In recent years, rare earth element doping has become an important emerging way to improve material properties. In this study, the effects of rare earth Y doping on the morphology, microstructure and properties of Hf-Y-N composite coatings were analyzed by combining equipment characterization methods and simulation methods. The results showed that when the content of Y was 9.8 at.%–18.5 at.%, (Hf, Y) N substituted solid solution was formed by Y atoms replacing Hf atoms. And as the Y content increased, the lattice distortion of coatings increased and the grain size decreased. The maximum hardness of the coating was 34.6 GPa when the doping amount of Y was 18.5 at.% and the hardness values of the Hf-Y-N composite coatings were greater than those of the binary HfN coatings. The fracture toughness of the composite coatings increased with the increase of Y doping content. The maximum fracture toughness was 4.8 MPa. m1/2, which was nearly five times higher than the fracture toughness of binary HfN coatings. The solid solution strengthening and fine grain strengthening effects caused by the doping of Y were responsible for that. At the same time, the adhesion between the coatings and the substrate was significantly improved. In addition, the doping of Y improved the thermal stability and corrosion resistance of the coating, and the corrosion current density of Hf-Y-N coating increased by two orders of magnitude compared to substrate, with a minimum of 4.21 × 10−8 A ∙ cm−2.