Deposition, Characterization, and Modeling of Scandium-Doped Aluminum Nitride Thin Film for Piezoelectric Devices.

In this work, we systematically studied the deposition, characterization, and crystal structure modeling of ScAlN thin film. Measurements of the piezoelectric device's relevant material properties, such as crystal structure, crystallographic orientation, and piezoelectric response, were performed to characterize the Sc0.29Al0.71N thin film grown using pulsed DC magnetron sputtering. Crystal structure modeling of the ScAlN thin film is proposed and validated, and the structure-property relations are discussed. The investigation results indicated that the sputtered thin film using seed layer technique had a good crystalline quality and a clear grain boundary. In addition, the effective piezoelectric coefficient d33 was up to 12.6 pC/N, and there was no wurtzite-to-rocksalt phase transition under high pressure. These good features demonstrated that the sputtered ScAlN is promising for application in high-coupling piezoelectric devices with high-pressure stability.

First-principles studies on the effects of halogen adsorption on monolayer antimony.

Using first-principles calculations, we carry out systematic studies on the electronic, magnetic and structural properties of halogenated ß-phase antimonene. We consider two different levels of halogen adatom coverage i.e. Θ = 1/8 and Θ = 1/18. It is found that F, Cl and Br adatoms act as acceptors whereas the I adatom acts as a donor. For a high coverage of Θ = 1/8, halogenated ß-phase antimonene exhibits metallic characteristics. With a lower coverage of Θ = 1/18, through the adsorption of F, Cl and Br the semiconducting unstrained antimonene becomes metallic. In contrast, I-adsorbed antimonene remains semiconducting but exhibits magnetic behavior. We further investigate the effects of bi-axial strain on the halogenated ß-phase antimonene. It is found that bi-axial strain can only induce ferromagnetism on the halogenated antimonene at Θ = 1/18. However, the ferromagnetism is suppressed when the applied strain is high. We uncover that the emergence of strain-dependent magnetism is attributed to the presence of localized states in the bandgap resulting from collective effects of bi-axial strain and the adsorption of halogen atoms.