Formation Energies Of Point Defects Research Articles

The influence of point defects on the electronic structures and optical properties of 3C-SiC

Using first-principles calculations, we studied the formation energy of point defects in cubic silicon carbide (3C-SiC) and the influences of defects on its electronic band structure, density of states, and optical properties. We found that the formation energy of the interstitial defect is greater than that of the vacancy and antisite defect, with the Si interstitial defect having the highest formation energy. The electronic band structure and density of states have no bandgap due to the vacancy defect, interstitial defect, and Si antisite defect (Si atom occupies the position of C atom), while the changes due to the C antisite defect (C atom occupies the position of Si atom) are not significant. Depending on the type of defect, the optical properties change differently, with the vacancy defect having the most significant impact on the optical properties. The vacancy defect notably increases the optical conductivity, dielectric function, reflectivity, extinction coefficient, and refractive index in the low-energy region, indicating the potential application of 3C-SiC in the field of optoelectronic devices.

The properties of radiation defects and threshold energies of displacement in zirconium hydride obtained by a new deep-learning potential

Abstract Zirconium hydride (ZrH2) is an ideal neutron moderator material. However, radiation effects significantly alter its properties, subsequently impacting its behavior and the lifespan of the reactor. The threshold energy of displacement is an important quantity of the number of radiation defects produced, which helps us to predict the evolution of radiation defects in ZrH2. Molecular dynamics (MD) and ab initio molecular dynamics (AIMD) are two main methods for calculating the threshold energy of displacement. MD simulations with empirical potentials often fail to accurately depict the transitional states that lattice atoms must surpass to reach an interstitial state. Additionally, the AIMD method does not afford large-scale calculation, posing a computational challenge beyond the scope of density functional theory simulations. Machine learning potentials are renowned for their high accuracy and efficiency, making them an increasingly preferred choice for molecular dynamics simulations. In this work, we developed an accurate potential energy model for the ZrH2 system by using the deep-potential (DP) method. The DP model has a high degree of agreement with first-principles calculations for the typic defect energies and mechanical properties of the ZrH2 system, including the basic bulk properties, formation energy of point defects, as well as diffusion behavior of hydrogen and zirconium. By integrating the DP model with Ziegler-Biersack-Littmark (ZBL) potential, we have predicted the threshold energies of displacement of zirconium and hydrogen in ε-ZrH2.

Ab-initio study of point defects in Th and U alloy

Point defect formation energies are calculated along with several structural and elastic properties for the fcc (α) and bcc (β) Th crystal structures. Th-self defects and single uranium impurity defects are modeled in the fcc phase, whereas only Th self-defects are modeled in the high temperature bcc phase. Additionally, an analysis of several well known exchange-correlation functionals is given in regard to defect modeling performance. Overall, defect formation energies in the bcc phase were lower in energy compared to their defect equivalents in the fcc phase. In both phases, vacancies were found be the most stable, with the bcc vacancy being ∼0.8 eV lower in energy than the fcc vacancy, regardless of form of the exchange-functional. The most stable interstitial defects were in the octahedral and <110> dumbbell positions for the fcc and bcc phases, respectively. It was also found that the <110> and <111> dumbbell defects were unstable in the fcc phase, but not in the bcc phase. Overall, the choice of exchange-correlation functional was found to have almost a negligible effect on the calculated formation energies. The most notable difference between functionals was in the prediction of the vacancy defect formation energies, which may be attributed to differences in the way each functional handles exchange and correlation in regions of low electron density relative to the bulk of a material, such as in the internal surface of a vacancy or vacancy cluster.

Mixed Enthalpy-Entropy Descriptor for the Rational Design of Synthesizable High-Entropy Materials Over Vast Chemical Spaces.

The practically unlimited high-dimensional composition space of high-entropy materials (HEMs) has emerged as an exciting platform for functional material design and discovery. However, the identification of stable and synthesizable HEMs and robust design rules remains a daunting challenge. Here, we propose a mixed enthalpy-entropy descriptor (MEED) that enables highly efficient, robust, high-throughput prediction of synthesizable HEMs across vast chemical spaces from first-principles. The MEED is based on two parameters: the relative formation enthalpy with respect to the most stable competing compound and the spread of the point-defect formation energy spectrum. The former measures the relative synthesizability of an HEM to its most stable competing phase, going beyond the conventional thermodynamic understanding. The latter gauges the relative entropy forming ability of an HEM, entailing no sampling over numerous alloy configurations. By applying the MEED to two structurally distinct representative material systems (i.e., 3D rocksalt carbides and 2D layered sulfides), we not only successfully identify all experimentally reported HEMs within these systems but also reveal a cutoff criterion for assessing their relative synthesizability within each system. By the MEED, tens of new high-entropy carbides and 2D high-entropy sulfides are also predicted, which have the potential for a wide variety of applications such as coating in aerospace devices, energy conversion and storage, and flexible electronics.

A first principles investigation of defect energetics and diffusion in actinide dioxides

In this work, we have studied the formation and migration of various neutral intrinsic defects in AnO2. The non-stoichiometric defects such as vacancy defect, interstitial defect, and antisite defect as well as stoichiometric defects such as Schottky defect and Frenkel pairs has been considered for investigation. The formation energies of point defects are much higher in ThO2 as compared to UO2 and PuO2. The binding energy of defect clusters indicate that formation of Frenkel pair and Schottky defect is favorable over individual defects in ThO2. In case of UO2 and PuO2, hyper-stoichiometric defects are more stable than hypo-stoichiometric defects. The results obtained in this work are in good agreement with experimental results.

Interatomic force fields for zirconium based on the embedded atom method and the tabulated Gaussian Approximation Potential

The accuracy of interatomic interaction potentials–also known as force fields–is the main factor determining the physical soundness of classical molecular dynamics (MD) simulations. Here, we present a multi-objective framework to generate embedded-atom-method (EAM) force fields using ab initio data. The EAM force fields were tuned via particle swarm optimization to capture the non-linear association between atomic structures and system energies. Using this framework, 95 standard EAM force fields for zirconium were developed and 45 physical features for each developed force field were tracked. Principal component analysis (PCA) was performed to provide insights into the compromises that must be made when generating EAM force fields. Of note, by assigning large fitting weights to generalized stacking fault energy (GSFE) surfaces, there exist EAM force fields with properly positioned minima on prismatic GSFE surfaces and containing no spurious minima in basal GSFE surfaces. However, while standard EAM force fields achieved this without explicitly taking the angular dependence of atomic interactions into account, they led to a severe mismatch between other important physical properties and benchmarks. Hence, we also constructed two machine-learned tabulated Gaussian approximation potentials (tabGAP) with an additional three-body term, which successfully tackled the aforementioned issue and exhibit acceptable prediction accuracy across many physical properties (lattice parameters, elastic properties, dimer potential energies, melting temperatures, phase stability, point defect formation energies, point defect migration energies, and free surface energies) of Zr. Remarkably, its computational efficiency is only 6 times slower than standard EAM force fields.

Comparison and Assessment of Different Interatomic Potentials for Simulation of Silicon Carbide.

Interatomic potentials play a crucial role in the molecular dynamics (MD) simulation of silicon carbide (SiC). However, the ability of interatomic potentials to accurately describe certain physical properties of SiC has yet to be confirmed, particularly for hexagonal SiC. In this study, the mechanical, thermal, and defect properties of four SiC structures (3C-, 2H-, 4H-, and 6H-SiC) have been calculated with multiple interatomic potentials using the MD method, and then compared with the results obtained from density functional theory and experiments to assess the descriptive capabilities of these interatomic potentials. The results indicate that the T05 potential is suitable for describing the elastic constant and modulus of SiC. Thermal calculations show that the Vashishta, environment-dependent interatomic potential (EDIP), and modified embedded atom method (MEAM) potentials effectively describe the vibrational properties of SiC, and the T90 potential provides a better description of the thermal conductivity of SiC. The EDIP potential has a significant advantage in describing point defect formation energy in hexagonal SiC, and the GW potential is suitable for describing vacancy migration in hexagonal SiC. Furthermore, the T90 and T94 potentials can effectively predict the surface energies of the three low-index surfaces of 3C-SiC, and the Vashishta potential exhibits excellent capabilities in describing stacking fault properties in SiC. This work will be helpful for selecting a potential for SiC simulations.

Development of U-Zr-Xe ternary interatomic potentials appropriate for simulation of defect and Xe behaviors in U-Zr system

U-10Zr metallic fuel (alloys of U with 10 wt% Zr) is considered as a potential candidate for fast reactors due to its excellent performance. However, the fission gas swelling has a significant impact on its properties and prevents it from reaching higher burnup. To gain a deeper understanding of the fission gas swelling mechanism, molecular dynamics simulations based on interatomic potentials are underway to fill the key knowledge gaps. In this work, two modified embedded-atom method (MEAM) potentials are developed for the U-Zr system with Xe, one for α-U-Zr and δ-UZr2, and the other for γ-U-Zr. The parameters of the potentials are determined by fitting the material properties from experiments or density functional theory (DFT) calculations. It is verified that the potentials can reproduce well the lattice constants, elastic constants, point defects, surface energy, and the melting point of U. In addition, the lattice constants, elastic constants, cohesive energy, and point defect formation energy of Zr are in good agreement with the experimental and DFT results. For the alloy system, the typical defect properties of Zr and Xe in U, as well as the formation energy and elastic constant of δ-UZr2 are close to the DFT. The lattice constant, linear thermal expansion, and mixing enthalpy of γ-U-Zr alloy are following the experimental values. The results show that the obtained potentials are suitable for simulating the defect evolution and Xe behaviors in the U-Zr system.

The potential application of Ru in aluminide coatings with reduced Al contents: A combined experimental and theoretical study

Aluminide coatings are widely used on turbine blades due to their excellent oxidation resistance. However, the interdiffusion between these coatings and superalloy substrates can lead to a deterioration of mechanical properties in the coated alloys. In the present study, Ni-Al alloys (Ni-50Al, Ni-40Al, and Ni-30Al), both with and without the addition of 10 at. % Ru, are prepared and used to form diffusion couples with a single crystal superalloy SCA21. After a diffusion process at 1150 ℃ for 100 h, interdiffusion layers with the matrix of β-NiAl or γ ′-Ni3Al form at the diffusion couple interfaces. The formation of L12-ordered Ni3Al phases is found to impede elemental interdiffusion. Consequently, Ni-30Al/SCA21, which exhibits only Ni3Al-based interdiffusion layers, displays the lowest interdiffusion coefficients among the diffusion couples without Ru addition. Furthermore, first-principles studies reveal that the addition of Ru increases the formation energies of point defects and defect clusters involved in elemental interdiffusion in stoichiometric NiAl, Ni-rich NiAl, and Ni3Al phases, particularly when Ru occupies the Al site of Ni3Al phases at high temperatures. The remarkable diffusion barrier effects of Ru in Ni-30Al coatings have the potential to significantly enhance their performance and broaden their application prospects.

Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy

The primary radiation damage in pure V and TiVTa concentrated solid-solution alloy (CSA) was studied using a molecular dynamics method. We have performed displacement cascade simulations to explore the generation and evolution behavior of irradiation defects. The results demonstrate that the defect accumulation and agglomeration in TiVTa CSA are significantly suppressed compared to pure V. The peak value of Frenkel pairs during cascade collisions in TiVTa CSA is much higher than that in pure V due to the lower formation energy of point defects. Meanwhile, the longer lifetime of the thermal spike relaxation and slow energy dissipation capability of TiVTa CSA can facilitate the recombination of point defects. The defect agglomeration rate in TiVTa CSA is much lower due to the lower binding energy of interstitial clusters and reduced interstitial diffusivity. Furthermore, the occurrence probability of dislocation loops in TiVTa CSA is lower than that in pure V. The reduction in primary radiation damage may enhance the radiation resistance of TiVTa CSA, and the improved radiation tolerance is primarily attributed to the relaxation stage and long-term defect evolution rather than the ballistic stage. These results can provide fundamental insights into irradiation-induced defects evolution in refractory CSAs.

Study on the intrinsic defect in [formula omitted] crystal from combined first-principles and thermodynamic calculation

Erbium oxide (Er2O3) crystal is expected to be a new generation of persistent luminescence devices. The intrinsic point defects have a great influence on the properties of crystals. So, we investigated the formation energy of intrinsic point defect in Er2O3 crystal by density functional theory (DFT) and thermodynamic calculation. The effect of vibration entropy variation with temperature is considered. The results show that the influence of vibrational entropy on the formation energy should not be ignored under high-temperature. The defect formation energy under varied temperatures and oxygen partial pressure has been obtained. The results indicate that the most stable defect change from oxygen vacancies to erbium vacancies when the Fermi level increases from valence band maximum (VBM) to conduction band minimum (CBM). Erbium vacancies are predicted as shallow level acceptors. Fermi pinning effect causes the crystal to have a p-type conductive behavior. Our calculated result can provide the optimization condition for adjusting the main defect types to satisfy the needs of application.

First-Principles Study of Atomic Diffusion by Vacancy Defect of the L12-Al3M (M = Sc, Zr, Er, Y) Phase.

Atomic diffusion by the vacancy defect of L12-Al3M (M = Sc, Zr, Er, Y) was investigated based on a first-principles calculation. The point defect formation energies were firstly evaluated. Then, the migration energy for different diffusion paths was obtained by the climbing-image nudged elastic band (CI-NEB) method. The results showed that Al atomic and M atomic diffusions through nearest-neighbor jump (NNJ) mediated by Al vacancy (VAl) were, respectively, the preferred diffusion paths in Al3M phases under both Al-rich and M-rich conditions. The other mechanisms, such as six-jump cycle (6JC) and next-nearest-neighbor jump (NNNJ), were energetically inhibited. The order of activation barriers for NNJ(Al-VAl) was Al3Zr < Al3Y < Al3Er < Al3Sc. The Al3Sc phase had high stability with a high self-diffusion activation barrier, while the Al3Zr and Al3Y phases were relatively unstable with a low self-diffusion activation energy. Moreover, the atomic-diffusion behavior between the core and shell layers of L12-Al3M was also further investigated. Zr atoms were prone to diffusion into the Al3Y core layer, resulting in no stable core-shelled Al3(Y,Zr), which well agreed with experimental observation.

A Set of Moment Tensor Potentials for Zirconium with Increasing Complexity.

Machine learning force fields (MLFFs) are an increasingly popular choice for atomistic simulations due to their high fidelity and improvable nature. Here we propose a hybrid small-cell approach that combines attributes of both offline and active learning to systematically expand a quantum-mechanical (QM) database while constructing MLFFs with increasing model complexity. Our MLFFs employ the moment tensor potential formalism. During this process, we quantitatively assessed the structural properties, elastic properties, dimer potential energies, melting temperatures, phase stability, point defect formation energies, point defect migration energies, free surface energies, and generalized stacking fault (GSF) energies of Zr as predicted by our MLFFs. Unsurprisingly, the model complexity has a positive correlation with prediction accuracy. We also find that the MLFFs were able to predict the properties of out-of-sample configurations without directly including these specific configurations in the training dataset. Additionally, we generated 100 MLFFs of high complexity (1513 parameters each) that reached different local optima during training. Their predictions cluster around the benchmark DFT values, but subtle physical features such as the location of local minima on the GSF energy surface are washed out by statistical noise.

Atomistic Simulation of&#x0D; Symmetric and Asymmetric Tilt Grain Boundaries 5 &lt;001&gt; in Niobium: Structure, Energy, Point Defects,&#x0D; Grain Boundary Self-Diffusion

Symmetric and three asymmetric tilt grain boundaries Ʃ 5 in niobium have been studied by computer simulation methods. The structure and energies of the boundaries under consideration, as well as the energies of the formation of point defects in them, are calculated by the method of molecular-static modeling. The dependences of the formation energies of point defects on the distance from the plane of the grain boundary are analyzed. Using the method of molecular dynamics, the coefficients of grain-boundary self-diffusion for the considered boundaries are calculated.

Primary radiation damage in tungsten-based high-entropy alloy: Interatomic potential and collision cascade simulations

Tungsten (W)-based high-entropy alloys (HEAs) have shown promising properties as nuclear fusion materials. Characterizing the primary damage is a critical step in describing and revealing the irradiation-induced damage and radiation resistance mechanism. However, there are a limited number of studies on collision cascades and primary radiation damage in W-based HEAs, owing to the large amount of calculations involved and a lack of appropriate interatomic interaction potentials. In this work, we developed a semi-empirical interatomic potential for W–Ta–Cr–V. By using the developed potential, molecular dynamics simulations of collision cascades in W-based HEAs were performed to assess the primary damage due to irradiation. Based on experimental samples, we reported defect production in W38Ta36Cr15V11 and compared it to pure W for primary knock-on atom with energies ranging from 1 keV to 100 keV. Our findings showed that the number of FPs at the thermal spike and the number of surviving FPs at the end of the cascade in W38Ta36Cr15V11 are more than those in pure W, mainly due to the lower threshold displacement energy, melting temperature, and formation energy of point defects. Collision cascades in the W38Ta36Cr15V11 are less likely to result in the formation of dislocation loops compared to pure W. After collision cascade, in W38Ta36Cr15V11, the concentrations of Cr and V atoms in defects is significantly higher than their corresponding concentrations in the system, showing an aggregation tendency. The current collision cascade results provide insights into the primary damage of W-based HEA system under irradiation and should provide reliable guidance for describing the primary damage source terms needed in the kinetic models used to simulate radiation-induced microstructural evolution.

Modeling of fission gas diffusion and release for doped

Uranium dioxide (▪) is the primary nuclear fuel in light water reactors, and its excess neutronic reactivity can be controlled by adding burnable absorbers, such as ▪. This burnable absorber has a large neutron absorption cross-section, lowering the high reactivity of the reactor's initial fuel load. However, there needs to be more understanding of how added ▪ influences the properties of ▪ under irradiation. To understand the behavior of defects and fission gas in the ▪/▪ system under irradiation, we use cluster dynamics modeling supported by density functional theory calculations. First, we calculate the formation energies of Gd point and cluster defects, and evaluate the temperature-dependent defect concentrations using the defect formation energies and entropies. We show that Gd is soluble in ▪, introducing a negative charge in the system. Using this information, we adapted the cluster dynamics code Centipede to model the influence of Gd on U self-diffusion and Xe diffusion in ▪ with 10 wt% ▪. Also, we analyzed the Xe diffusion as a function of ▪ concentration, showing that the Xe diffusivity is decreased, which means that the athermal diffusivity due to electronic stopping persists at higher temperatures. The decrease in Xe diffusion means that more Xe stays in the matrix, decreasing the Xe release, and lowering its influence of fission gas release on the thermomechanical properties of ▪.

Interactions between displacement cascades and grain boundaries in NiFe single-phase concentrated solid solution alloys

Single-phase concentrated solid solution alloys (SP-CSAs) are promising structural materials with excellent irradiation resistance. It is very important for their application in nuclear reactor structures to understand the interactions between their grain boundaries (GBs) and irradiation-induced defects. With molecular dynamics (MD) simulations, the displacement cascades in NiFe SP-CSAs with Σ5(210) symmetrical tilt GB were studied. Compared with pure Ni, NiFe has higher sink strength of GB for vacancies but has little effect on the interstitial absorption of GB. The formation energies of interstitials and vacancies near the GB are more dispersed, so that the point defects are more difficult to aggregate, which is beneficial for the recombination of interstitials and vacancies near the GB. Both the formation energies of point defects and the sink strengths of GB for point defects could be changed with the SP-CSA compositions. When the Fe atom concentration is higher than 30 at.%, the point defects are easier to annihilate. Both the effects of the PKA energy and the PKA-GB distance on the displacement cascades damage can be explained with the size of overlapping region between the cascade region and GB. In addition, the formation of SP-CSAs helps to annihilate the vacancies in NiFe with Σ37(750) symmetrical tilt GB and Σ5 twist GB.

First-principles calculations for the effect of energetic point defect formation on electronic properties of the Weyl MX family (M = Nb, Ta; X = P, As)

• The unfolding technique was used for the first time to highlight the impact of point defects on the electronic band structure. • The transition metal Nb and Ta vacancies are energetically nearer to stability in the cases of NbAs and TaAs. • The pnictide P vacancy is energetically favorable among four possible point defects in both NbP and TaP. • For TaAs, the Ta vacancy concentration is significantly higher than all other types of defect concentrations. • All four of these compounds are thermodynamically, dynamically, and mechanically stable. By the first-principles of the density functional theory (DFT) approach, the structural parameters, elastic, vibrational, electronic properties, and enthalpies of formation of four stoichiometric Weyl semimetal compounds were evaluated. Besides, we calculated point defect formation energies and electronic band structures of defect-containing supercells by using an unfolding technique to highlight the effects of point defects (vacancies and anti-sites) on Weyl points in the electronic structure of these compounds. The transition metal Nb and Ta vacancies are energetically nearer to stability in the cases of NbAs and TaAs, but the pnictide P vacancy is energetically favorable among four possible point defects in both NbP and TaP. The band structure results, obtained from the unfold method, agree with defect formation energies at the ground state. Moreover, a true and accurate description of defects is based on the well-ordered compounds (NbAs, TaAs, NbP, and TaP). A relationship between temperature (K based on defect formation energies) and defect concentrations for these Weyl compounds was derived. In particular, for TaAs, the Ta vacancy concentration is significantly higher than all other types of defect concentrations.

Effects of proton irradiation-induced point defects on Shockley–Read–Hall recombination lifetimes in homoepitaxial GaN p–n junctions

This work examined the intentional generation of recombination centers in GaN p–n junctions on freestanding GaN substrates. Irradiation with a 4.2 MeV proton beam was used to create a uniform distribution of vacancies and interstitials across GaN p+/n− and p−/n+ junctions through anode electrodes. With increasing proton dose, the effective doping concentrations were found to be reduced. Because the reduction in the doping concentration was much higher than the hydrogen atom concentration, this decrease could not be attributed solely to carrier compensation resulting from interstitial hydrogen atoms. In fact, more than half of the electron and hole compensation was caused by the presence of point defects. These defects evidently served as Shockley–Read–Hall (SRH) recombination centers such that the SRH lifetimes were reduced to several picoseconds from several hundred picoseconds prior to irradiation. The compensation for holes in the p−/n+ junctions was almost double that for electrons in the p+/n− junctions. Furthermore, the SRH lifetimes associated with p−/n+ junctions were shorter than those for p+/n− junctions for a given proton dose. These differences can be explained by variations in the charge state and/or the formation energy of intrinsic point defects in the p-type and n-type GaN layers. The results of the present work indicate the asymmetry of defect formation in GaN based on the fact that intrinsic point defects in p-type GaN readily compensate for holes.

A comprehensive study on the processing of Co:ZnO nanostructured ceramics: Defect chemistry engineering and grain growth kinetics

• Co:ZnO samples were prepared from different Co precursor (Co3O4, CoO, and metallic Co) in different sintering atmosphere (oxygen and argon). • First-principles calculations were performed to give support to the defect chemical analysis and insight into the mechanisms of the Co incorporation in the ZnO. • A detailed structural characterization was employed to determine the Co apparent incorporation activation energy and the grain growth kinetic parameters. • The Ar sintering atmosphere promotes an incongruent decomposition of the ZnO, leading to a higher Zn i density and a higher Co solubility. • To achieve high grain growth and densities the Co3O4 demonstrated to be a good additive for the w -ZnO sintering. • In the Ar sintering atmosphere the metallic Co precursor, due to its higher solubility into the w -ZnO, leads to a high Co homogeneous distribution over the w -ZnO grain. • CoO present the lowest solubility into w -ZnO and final grain size, being the best choice for top-down approach in processing of Co-doped w -ZnO nanopowders. In this report, we present a systematic study on the preparation of Co:ZnO ceramics via a standard solid-state route from different Co precursors (Co 3 O 4 , CoO, and metallic Co) and atmospheres (O 2 and Ar). Particular emphasis is given to defect chemistry engineering and the sintering growth kinetics. First-principles calculations based on density functional theory are employed to determine the formation energy of the main point defects in ZnO and Co:ZnO systems. Based on the theoretical results, a set of chemical reactions is proposed. Detailed microstructural characterization is also performed to determine the degree of Co incorporation into the ZnO lattice. The samples prepared in Ar atmosphere and metallic Co present the highest Co solubility limit (lower apparent Co incorporation activation energy) due to the incongruent ZnO decomposition. Determination of the parameters of the sintering growth kinetics reveals that Co 3 O 4 is the best sintering additive to achieve larger grain sizes, and possible higher densities, in both sintering atmospheres, while metallic Co is the best to achieve the smallest grain size with higher Co concentration and homogeneous spatial distribution for a subsequent reduction of dimensionality. The results show that the sintering in O 2 effectively promotes zinc vacancies in the ZnO structure, while the sintering in Ar promotes zinc interstitial defects. Our findings contribute to understanding the preparation of Co-doped ZnO ceramics and the sintering growth kinetics, which may improve the state of the art in processing the material at both bulk and nanometric scales.