Compressed Sr superconducting transition temperature up to 17.65 K.

Due to the simplicity of their composition, the study of the superconducting properties of elemental substances holds significant importance for understanding the mechanisms of high-temperature superconductivity. This work involves simulated calculations to investigate the phase transition sequence and superconducting properties of Sr under pressure. The stability range of the Sr-IV phase 2/ was redefined, determining that it can extend up to 150 GPa, and the phase transition sequence of Sr under high pressure was studied.

Emerging superconductivity rules in rare-earth and alkaline-earth metal hydrides.

Hydrides of alkaline-earth and rare-earth metals have garnered significant interest in high-temperature superconductor research due to their excellent electron-phonon coupling and high upon pressurization. This study explores the electronic structures and electron-phonon coupling of metal hydrides XH ( = 4,6), where X includes Ca, Mg, Sc, and Y. The involvement of d-orbital electrons alters the Fermi surface, leading to saddle-point nesting and a charge density wave (CDW) phase transition, which opens the superconducting gap.

Structural, elastic, mechanical, electronic, and optical properties of cubic KPbO from first-principle study.

Context: Based on first principles, the structure, elasticity, mechanics, electronics, and optical properties of cubic KPbO were studied. The structural parameters calculated by this method are close to the previous theoretical results. The elastic constant, bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and mechanical stability are studied, and it is shown that cubic KPbO is mechanically stable, isotropic, and brittleness.

Composition and structural characteristics of compressed alkaline earth metal hydrides.

The metallization of alkaline earth metal hydrides offers a way to achieve near-room temperature superconductivity. In order to explore the metallization mechanism of these hydrides under pressure, a detailed understanding of the property changes of alkaline earth metal hydrides is required. Based on first-principles calculations, we have systematically investigated the dihydrides (XH, X = Be, Mg, Ca, Sr, Ba) and tetrahydrides (XH, X = Mg, Ca, Sr, Ba) of alkaline earth metals, respectively.

Structural, elastic, electronic, and optical properties of NaAlSiO and Al[SiO](OH) from first-principles calculations.

Context: Based on the first-principles calculations, this paper investigates the structural, elastic, electronic, and optical properties of albite and kaolinite, respectively. It is determined that both of them show structural stability, mechanical stability, and brittleness by calculating formation enthalpy, phonon dispersion, elastic, and mechanically relevant properties. Both materials are insulators with an indirect bandgap.