High-Temperature Superconductivity in Doped Boron Clathrates

The recent discoveries of near-room-temperature superconductivity in clathrate hydrides present compelling evidence for the reliability of theory-orientated conventional superconductivity.Nevertheless,the harsh pressure conditions required to maintain such high T_(c)limit their practical applications.To address this challenge,we conducted extensive first-principles calculations to investigate the doping effect of the recently synthesized LaB_(8)clathrate,intending to design high-temperature superconductors at ambient pressure.Our results demonstrate that these clathrates are highly promising for high-temperature superconductivity owing to the coexistence of rigid boron covalent networks and the tunable density of states at the Fermi level.Remarkably,the predicted T_(c)of BaB_(8)could reach 62 K at ambient pressure,suggesting a significant improvement over the calculated T_(c)of 14 K in LaB_(8).Moreover,further calculations of the formation enthalpies suggest that BaB_(8)could be potentially synthesized under high-temperature and high-pressure conditions.These findings highlight the potential of doped boron clathrates as promising superconductors and provide valuable insights into the design of light-element clathrate superconductors.

Stability and band gap engineering of silica-confined lead halide perovskite nanocrystals under high pressure

SiO_(2)is the major mineral substance in the upper mantle of the earth.Therefore,studies of the silica-coated materials under high-pressure are essential to explore the physical and chemical properties of the upper mantle.The silica-confined CsPbBr_(3)nanocrystals(NCs)have recently attracted much attention because of the improved photoluminescence(PL)quantum yield,owing to the protection of silica shell.However,it remains considerable interest to further explore the relationship between optical properties and the structure of CsPbBr_(3)@SiO_(2)NCs.We systemically studied the structural and optical properties of the CsPbBr_(3)@SiO_(2)NCs under high pressure by using diamond anvil cell(DAC).The discontinuous changes of PL and absorption spectra occurred at~1.40 GPa.Synchrotron X-ray diffraction(XRD)studies of CsPbBr_(3)@SiO_(2)NCs under high pressure indicated an isostructural phase transformation at about 1.36 GPa,owing to the pressure-induced tilting of the Pb-Br octahedra.The isothermal bulk moduli for two phases are estimated about 60.0 GPa and 19.2 GPa by fitting the equation of state.Besides,the transition pressure point of CsPbBr_(3)@SiO_(2)NCs is slightly higher than that of pristine CsPbBr_(3)NCs,which attributed to the buffer effect of coating silica shell.The results indicate that silica shell is able to enhance the stabilization without changing the relationship between optical properties and structure of CsPbBr_(3)NCs.Our results were fascinated to model the rock metasomatism in the upper mantle and provided a new‘lithoprobe’for detecting the upper mantle.

Structural evolution and bandgap modulation of layeredβ-GeSe_(2)single crystal under high pressure

Germanium diselenide(GeSe_(2))is a promising candidate for electronic devices because of its unique crystal structure and optoelectronic properties.However,the evolution of lattice and electronic structure ofβ-GeSe_(2)at high pressure is still uncertain.Here we prepared high-qualityβ-GeSe_(2)single crystals by chemical vapor transfer(CVT)technique and performed systematic experimental studies on the evolution of lattice structure and bandgap ofβ-GeSe_(2)under pressure.High-precision high-pressure ultra low frequency(ULF)Raman scattering and synchrotron angle-dispersive x-ray diffraction(ADXRD)measurements support that no structural phase transition exists under high pressure up to 13.80 GPa,but the structure ofβ-GeSe_(2)turns into a disordered state near 6.91 GPa and gradually becomes amorphous forming an irreversibly amorphous crystal at 13.80 GPa.Two Raman modes keep softening abnormally upon pressure.The bandgap ofβ-GeSe_(2)reduced linearly from 2.59 eV to 1.65 eV under pressure with a detectable narrowing of 36.5%,and the sample under pressure performs the piezochromism phenomenon.The bandgap after decompression is smaller than that in the atmospheric pressure environment,which is caused by incomplete recrystallization.These results enrich the insight into the structural and optical properties ofβ-GeSe_(2)and demonstrate the potential of pressure in modulating the material properties of two-dimensional(2D)Ge-based binary material.