In recent years, high-entropy alloys have been proposed as potential hydrogen storage materials. Despite a number of experimental efforts, there is a lack of theoretical understanding regarding the hydrogen absorption behavior of high-entropy alloys. In this work, the hydrogen storage properties of a new TiZrHfScMo high-entropy alloy are investigated. This material is synthesized successfully, and its structure is characterized as body-centered cubic. Based on density functional theory, the lattice constant, formation enthalpy, binding energy, and electronic properties of hydrogenated TiZrHfScMo are all calculated. The calculations reveal that the process of hydrogenation is an exothermic process, and the bonding between the hydrogen and metal elements are of covalent character. In the hydrogenated TiZrHfScMo, the Ti and Sc atoms lose electrons and Mo atoms gain electrons. As the H content increases, the bonding is weakened, and the and bonding are strengthened. Our calculations demonstrate that the TiZrHfScMo high-entropy alloy is a promising hydrogen storage material, and different alloy elements play different roles in the hydrogen absorption process.

GaAs has been demonstrated to be a promising material for manufacturing semiconductor light-emitting devices and integrated circuits. It has been widely used in the field of aerospace, due to its high electron mobility and wide band gap. In this study, the structural and photoelectric characteristics of Si-doped GaAs under different gamma irradiation doses (0, 0.1, 1 and 10 KGy) are investigated. Surface morphology studies show roughen of the surface with irradiation. Appearance of transverse-optical (TO) phonon mode and blueshift of TO peak reflect the presence of internal strain with irradiation. The average strain has been measured to be 0.009 by Raman spectroscopy, indicating that the irradiated zone still has a good crystallinity even at a dose of 10 KGy. Photoluminescence intensity is increased by about 60% under 10 KGy gamma irradiation due to the strain suppression of nonradiative recombination centers. Furthermore, the current of Si-doped GaAs is reduced at 3V bias with the increasing gamma dose. This study demonstrates that the Si-doped GaAs has good radiation resistance under gamma irradiation, and appropriate level of gamma irradiation can be used to enhance the luminescence property of Si-doped GaAs.

In this study, the low-energy radiation responses of Si, Ge, and Si/Ge superlattice are investigated by an ab initio molecular dynamics method and the origins of their different radiation behaviors are explored. It is found that the radiation resistance of the Ge atoms that are around the interface of Si/Ge superlattice is comparable to bulk Ge, whereas the Si atoms around the interface are more difficult to be displaced than the bulk Si, showing enhanced radiation tolerance as compared with the bulk Si. The mechanisms for defect generation in the bulk and superlattice structures show somewhat different character, and the associated defects in the superlattice are more complex. Defect formation and migration calculations show that in the superlattice structure, the point defects are more difficult to form and the vacancies are less mobile. The enhanced radiation tolerance of the Si/Ge superlattice will benefit for its applications as electronic and optoelectronic devices under radiation environment.

Silicon carbide (SiC) has been widely used for electronic radiation detectors and atomic battery sensors. However, the physical properties of SiC exposure to high-dose irradiation as well as its related electrical responses are not yet well understood. Meanwhile, the current research in this field are generally focused on electrical properties and defects formation, which are not suitable to explain the intrinsic response of irradiation effect since defect itself is not easy to characterize, and it is complex to determine whether it comes from the raw material or exists only upon irradiation. Therefore, a more straightforward quantification of irradiation effect is needed to establish the direct correlation between irradiation-induced current and the radiation fluence. This work reports the on-line electrical properties of 4H-SiC Schottky barrier diodes (SBDs) under high-dose electron irradiation and employs in situ noise diagnostic analysis to demonstrate the correlation of irradiation-induced defects and microscopic electronic properties. It is found that the electron beam has a strong radiation destructive effect on 4H-SiC SBDs. The on-line electron-induced current and noise information reveal a self-healing like procedure, in which the internal defects of the devices are likely to be annealed at room temperature and devices’ performance is restored to some extent.