Evaluation of effective threshold displacement energies and other data required for the calculation of advanced atomic displacement cross-sections

Konobeyev, A.Yu.; Fischer, U.; Korovin, Yu.A.; Simakov, S.P.

doi:10.1016/j.nucet.2017.08.007

Cited by 236 publications

(69 citation statements)

References 11 publications

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“…Prior to these calculations, the SRIM code [35] was used to calculate the energy and angular direction of the nascent particle flux (Hf sputtered atoms) leaving the target. A displacement energy threshold of 61 eV was chosen for Hf [36] and the SRIM output file was used as the input parameter in the SIMTRA code. These simulations give us access to a set of useful information, such as angular distribution, number of particles arriving at the surface of the substrate, as well as average energy of particles arriving at the surface of the substrate.…”

Section: Characterization Methodsmentioning

confidence: 99%

Texture and Stress Evolution in HfN Films Sputter-Deposited at Oblique Angles

et al. 2019

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In this study, polycrystalline hafnium nitride (HfN) thin films were grown by oblique angle deposition (OAD) technique to investigate the relationship between column tilt angle, texture development and residual stress evolution with varying inclination angle α of the substrate. The films (~1 μm thickness) were grown at various angles (α = 5°, 25°, 35°, 65°, 75°, and 85°) with respect to the substrate normal by reactive magnetron sputtering at 0.3 Pa and 300 °C. The film morphology, crystal structure and residual stress state were characterized by scanning electron microscopy and X-ray diffraction (XRD), including pole figure and sin2ψ measurements. All HfN films had a cubic, NaCl-type crystal structure with an [111] out-of-plane orientation and exhibited a biaxial texture for α ≥ 35°. XRD pole figures reveal that the crystal habit of the grains consists of {100} facets constituting triangular-base pyramids, with a side and a corner facing the projection of the incoming particle flux (indicative of a double in-plane alignment). A columnar microstructure was formed for α ≥ 35°, with typical column widths of 100 nm. It is observed that the column tilt angle β increases monotonously for α ≥ 35°, reaching β = 34° at α = 85°. This variation at microscopic scale is correlated with the tilt angle of the (111) crystallographic planes, changing from −24.8 to 11.3° with respect to the substrate surface. The residual stress changes from strongly compressive (~−5 GPa at α = 5°) to negligible or slightly tensile for α ≥ 35°. The observed trends are compared to previous works of the literature and discussed based on existing crystal growth and stress models, as well as in light of energy and angular distribution of the incident particle flux calculated by Monte Carlo. Importantly, a decrease of the average kinetic energy of Hf particles from 22.4 to 17.7 eV is found with increasing α due to an increase number of collisions.

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Section: Characterization Methodsmentioning

confidence: 99%

Texture and Stress Evolution in HfN Films Sputter-Deposited at Oblique Angles

et al. 2019

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“…For Fe, Ni, Cu, Pd, Ag, W, Pt, and Au the parameters included in the arc-dpa formalism were taken from Refs. [309,310,314] and for other materials were estimated using a semi-empirical systematic approach [315]. The approach uses the correlations between minimum, averaged, and effective threshold displacement energies and a number of quantities such as melting temperature, material density, cohesive energy, and others.…”

Section: Displacement Damage Datamentioning

confidence: 99%

The joint evaluated fission and fusion nuclear data library, JEFF-3.3

et al. 2020

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The joint evaluated fission and fusion nuclear data library 3.3 is described. New evaluations for neutroninduced interactions with the major actinides 235 U, 238 U and 239 Pu, on 241 Am and 23 Na, 59 Ni, Cr, Cu, Zr, Cd, Hf, W, Au, Pb and Bi are presented. It includes new fission yields, prompt fission neutron spectra and average number of neutrons per fission. In addition, new data for radioactive decay, thermal neutron scattering, gamma-ray emission, neutron activation, delayed neutrons and displacement damage are presented. JEFF-3.3 was complemented by files from the TENDL project. The libraries for photon, proton, deuteron, triton, helion and alpha-particle induced reactions are from TENDL-2017. The demands for uncertainty quantification in modeling led to many new covariance data for the evaluations. A comparison between results from model calculations using the JEFF-3.3 library and those from benchmark experiments for criticality, delayed neutron yields, shielding and decay heat, reveals that JEFF-3.3 performes very well for a wide range of nuclear technology applications, in particular nuclear energy.

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“…For example, the ratio for α~3 00K (1.53)/ α~3 00K (1.7) as energy decreases from 1.7 to 1. 53 [18], respectively. Below the absorption edge, for 1.2 ≤ E(eV) ≤ 1.6, the A0d_rf-f0 reference layer absorption coefficient slowly decreases with decreasing energy towards mid-gap and, as seen above, its values remain quite high compared to those in the higher energy range above the absorption edge.…”

Section: Discussionmentioning

confidence: 99%

“…As well documented since decades (for example, see references in [50][51][52]), the energy transfer from the beam electrons to the target occurs via elastic collisions with target nuclei, and, via inelastic collisions with target electrons. The elastic collisions generate vacancyinterstitials pairs via replacement collision sequences along the crystalline directions with lower threshold energy displacements [53]. The inelastic ones generate electronic excitation or secondary electrons via ionization.…”

Section: Continuous Illumination In the Ajd_fn Layersmentioning

confidence: 99%

Electron irradiation induced aging effects on radiative recombination properties of quadruple cation organic-inorganic perovskite layers

et al. 2020

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Understanding the role of defects in hybrid organic inorganic perovskites (HOIPs) is critically important to engineer the stability and performance of photovoltaic devices based on HOIPs. Recent reports on multi-cation compositions of general formula (A 1 ,A 2 ,A 3 ,A 4)Pb(X 1 ,X 2 ,X 3) 3 , where the A sites can be occupied by a distribution of 2-4 metallic/ organic cations and X sites with halide anions have shown stabilization effects against the well-known methyl ammonium lead triiodide (CH 3 NH 3 PbI 3), although the underlying mechanism is not fully elucidated. Herein, polycrystalline layers of 4APb(IBr) 3 perovskite, where A is occupied by a combination of Cs + (cesium ion), GA + (guanidinium), MA + (methylammonium), and FA + (formamidinium) ions were synthesized. To gain insight on the role of intrinsic defects, electron irradiation was used for introducing point defects in a controlled way in the quadruple-cation HOIPs. Our results show that the engineered defects in perovskites strongly influenced the absorption, photoluminescence, and time-resolved photoluminescence of these materials, probably due to introduction of additional energy levels that modify electronic and light emitting properties of the material. Furthermore, the irradiation-induced defects were found to strongly affect the aging behavior of HOIPs and modify their radiative recombination properties.

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Evaluation of effective threshold displacement energies and other data required for the calculation of advanced atomic displacement cross-sections

Cited by 236 publications

References 11 publications

Texture and Stress Evolution in HfN Films Sputter-Deposited at Oblique Angles

Texture and Stress Evolution in HfN Films Sputter-Deposited at Oblique Angles

The joint evaluated fission and fusion nuclear data library, JEFF-3.3

Electron irradiation induced aging effects on radiative recombination properties of quadruple cation organic-inorganic perovskite layers

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