defect formation
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Materials ◽  
2022 ◽  
Vol 15 (2) ◽  
pp. 601
Author(s):  
Boris B. Straumal ◽  
Roman Kulagin ◽  
Leonid Klinger ◽  
Eugen Rabkin ◽  
Petr B. Straumal ◽  
...  

During severe plastic deformation (SPD), the processes of lattice defect formation as well as their relaxation (annihilation) compete with each other. As a result, a dynamic equilibrium is established, and a steady state is reached after a certain strain value. Simultaneously, other kinetic processes act in opposite directions and also compete with each other during SPD, such as grain refinement/growth, mechanical strengthening/softening, formation/decomposition of solid solution, etc. These competing processes also lead to dynamic equilibrium and result in a steady state (saturation), albeit after different strains. Among these steady-state phenomena, particle fragmentation during the second phase of SPD has received little attention. Available data indicate that precipitate fragmentation slows down with increasing strain, though saturation is achieved at higher strains than in the case of hardness or grain size. Moreover, one can consider the SPD-driven nanocrystallization in the amorphous phase as a process that is opposite to the fragmentation of precipitates. The size of these crystalline nanoprecipitates also saturates after a certain strain. The fragmentation of precipitates during SPD is the topic of this review.


Author(s):  
Judy Z Wu ◽  
Victor Ogunjimi ◽  
Mary Ann Sebastian ◽  
Di Zhang ◽  
Jie Jian ◽  
...  

Abstract One-dimensional c-axis-aligned BaZrO3 (BZO) nanorods are regarded as strong one-dimensional artificial pinning centers (1D-APCs) in BZO-doped YaBa2Cu3O7-x (BZO/YBCO) nanocomposite films. However, a microstructure analysis has revealed a defective, oxygen-deficient YBCO column around the BZO 1D-APCs due to the large lattice mismatch of ~7.7% between the BZO (3a=1.26 nm) and YBCO (c=1.17 nm), which has been blamed for the reduced pinning efficiency of BZO 1D-APCs. Herein, we report a dynamic lattice enlargement approach on the tensile strained YBCO lattice during the BZO 1D-APCs growth to induce c-axis elongation of the YBCO lattice up to 1.26 nm near the BZO 1D-APC/YBCO interface via Ca/Cu substitution on single Cu-O planes of YBCO, which prevents the interfacial defect formation by reducing the BZO/YBCO lattice mismatch to ~1.4%. Specifically, this is achieved by inserting thin Ca0.3Y0.7Ba2Cu3O7-x (CaY-123) spacers as the Ca reservoir in 2-6 vol.% BZO/YBCO nanocomposite multilayer (ML) films. A defect-free, coherent BZO 1D-APC/YBCO interface is confirmed in transmission electron microscopy and elemental distribution analyses. Excitingly, up to five-fold enhancement of Jc (B) at magnetic field B=9.0 T//c-axis and 65-77 K was obtained in the ML samples as compared to their BZO/YBCO single-layer (SL) counterpart’s. This has led to a record high pinning force density Fp together with significantly enhanced Bmax at which Fp reaches its maximum value Fp,max for BZO 1D-APCs at B//c-axis. At 65 K, the Fp,max ~158 GN/m3 and Bmax ~ 8.0 T for the 6% BZO/YBCO ML samples represent a significant enhancement over Fp,max ~36.1 GN/m3 and Bmax ~ 5.0 T for the 6% BZO/YBCO SL counterparts. This result not only illustrates the critical importance of a coherent BZO 1D-APC/YBCO interface in the pinning efficiency, but also provides a facile scheme to achieve such an interface to restore the pristine pinning efficiency of the BZO 1D-APCs.


Author(s):  
Andrei Ivanovich Titov ◽  
Konstantin Karabeshkin ◽  
Andrei Struchkov ◽  
Platon Karaseov ◽  
Alexander Azarov

Abstract Realization of radiation-hard electronic devices able to work in harsh environments requires deep understanding the processes of defect formation/evolution occurring in semiconductors bombarded by energetic particles. In the present work we address such intriguing radiation phenomenon as high radiation tolerance of GaN and analyze structural disorder employing advanced co-irradiation schemes where low and high energy implants with different ions have been used. Channeling analysis revealed that the interplay between radiation-stimulated defect annealing and defect stabilization by implanted atoms dominates defect formation in the crystal bulk. Furthermore, the balance between these two processes depends on implanted species. In particular, strong damage enhancement leading to the complete GaN bulk amorphization observed for the samples pre-implanted with fluorine ions, whereas the co-irradiation of the samples pre-implanted with such elements as neon, phosphorus, and argon ions leads to a decrease of the damage.


Crystals ◽  
2022 ◽  
Vol 12 (1) ◽  
pp. 88
Author(s):  
Anthony Ruth ◽  
Michael Holland ◽  
Angus Rockett ◽  
Erin Sanehira ◽  
Michael Irwin ◽  
...  

Metal halide perovskite materials (MHPs) are a family of next-generation semiconductors that are enabling low-cost, high-performance solar cells and optoelectronic devices. The most-used halogen in MHPs, iodine, can supplement its octet by covalent bonding resulting in atomic charges intermediate to I− and I0. Here, we examine theoretically stabilized defects of iodine using density functional theory (DFT); defect formation enthalpies and iodine Bader charges which illustrate how MHPs adapt to stoichiometry changes. Experimentally, X-ray photoelectron spectroscopy (XPS) is used to identify perovskite defects and their relative binding energies, and validate the predicted chemical environments of iodine defects. Examining MHP samples with excess iodine compared with near stoichiometric samples, we discern additional spectral intensity in the I 3d5/2 XPS data arising from defects, and support the presence of iodine trimers. I 3d5/2 defect peak areas reveal a ratio of 2:1, matching the number of atoms at the ends and middle of the trimer, whereas their binding energies agree with calculated Bader charges. Results suggest the iodine trimer is the preferred structural motif for incorporation of excess iodine into the perovskite lattice. Understanding these easily formed photoactive defects and how to identify their presence is essential for stabilizing MHPs against photodecomposition.


Author(s):  
Yuta ITOH ◽  
Hirotaka Watanabe ◽  
Yuto Ando ◽  
Emi Kano ◽  
Manato Deki ◽  
...  

Abstract We evaluated the beam current dependence of defect formation during Mg ion implantation into GaN at a high temperature of 1100℃ with two beam currents. Photoluminescence spectra suggested that low-beam-current ion implantation reduced the vacancy concentration and activated Mg to a greater extent. Moreover, scanning transmission electron microscopy analysis showed that low-beam-current implantation reduced the density of Mg segregation defects with inactive Mg and increased the number of intrinsic dislocation loops, suggesting a decrease in the density of Ga and N vacancies. The formation of these defects depended on beam current, which is an important parameter for defect suppression.


Author(s):  
Ya-Ru Wang ◽  
Gee Yeong Kim ◽  
Eugene Kotomin ◽  
Davide Moia ◽  
Joachim Maier

Abstract Mixed halide perovskites have attracted great interest for applications in solar cells, light emitting diodes and other optoelectronic devices due to their tunability of optical properties. However, these mixtures tend to undergo de-mixing into separate phases when exposed to light, which compromises their operational reliability in devices (photo de-mixing). Several models have been proposed to elucidate the origin of the photo de-mixing process, including the contribution of strain, electronic carrier stabilization due to composition dependent electronic energies, and light induced ionic defect formation. In this perspective we discuss these hypotheses and focus on the importance of investigating defect chemical and ion transport aspects in these systems. We discuss possible optoionic effects that can contribute to the driving force of de-mixing and should therefore be considered in the overall energy balance of the process. These effects include the selective self-trapping of photo-generated holes as well as scenarios involving multiple defects. This perspective provides new insights into the origin of photo de-mixing from a defect chemistry point of view, raising open questions and opportunities related to the phase behavior of mixed halide perovskites.


Author(s):  
Tatu Pinomaa ◽  
Matti Lindroos ◽  
Paul Jreidini ◽  
Matias Haapalehto ◽  
Kais Ammar ◽  
...  

Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline orientation. As these defects critically affect the material’s mechanical properties and performance features, it is important to understand the defect formation mechanisms, and how they depend on the solidification conditions and alloying. To illuminate the formation mechanisms of the rapid solidification induced crystalline defects, we conduct a multiscale modelling analysis consisting of bond-order potential-based molecular dynamics (MD), phase field crystal-based amplitude expansion simulations, and sequentially coupled phase field–crystal plasticity simulations. The resulting dislocation densities are quantified and compared to past experiments. The atomistic approaches (MD, PFC) can be used to calibrate continuum level crystal plasticity models, and the framework adds mechanistic insights arising from the multiscale analysis. This article is part of the theme issue ‘Transport phenomena in complex systems (part 2)’.


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