RESUMEN
The high-pressure crystal structure evolution of CH3NH3PbBr3 (MAPbBr3) perovskite has been investigated by single-crystal X-ray diffraction and synchrotron-based powder X-ray diffraction. Single-crystal X-ray diffraction reveals that the crystal structure of MAPbBr3 undergoes two phase transitions following the space-group sequence: Pm3Ì m â Im3Ì â Pmn21, unveiling the occurrence of a nonpolar/polar transition (Im3Ì â Pmn21). The transitions take place at around 0.8 and 1.8 GPa, respectively. This result contradicts the previously reported phase transition sequence: Pm3Ì m â Im3Ì âPnma. In this work, the crystal structures of each of the three phases are determined from single-crystal X-ray diffraction analysis, which is later supported by Rietveld refinement of powder X-ray diffraction patterns. The pressure dependence of the crystal lattice parameters and unit-cell volumes are determined from the two aforementioned techniques, as well as the bulk moduli for each phase. The bandgap behavior of MAPbBr3 has been studied up to around 4 GPa, by means of single-crystal optical absorption experiments. The evolution of the bandgap has been well explained using the pressure dependence of the Pb-Br bond distance and Pb-Br-Pb angles as determined from single-crystal X-ray diffraction experiments.
RESUMEN
Materials with superconductivity and a nontrivial band structure near the Fermi level are promising candidates in realizing topological superconductivity. Using first-principles calculations, we systematically investigated the stability, mechanical properties, superconductivity, electronic structures, and topological states of hexagonal TaC and NbC. The results show that they are stable and have excellent mechanical properties. We predicted that these two carbides are strong electron-phonon coupling superconductors with superconducting transition temperatures of 14.8 and 17.1 K, respectively. Strong coupling is mainly dominated by in-plane Ta/Nb atomic vibrations and in-plane Ta/Nb-dxy/dx2-y2 electronic orbitals. The electronic structure calculations demonstrate that a nodal line and a triply degenerate point coexist when not including the spin-orbit coupling (SOC) effect. After including the SOC effect, the nodal line is gapped. The complicated surface states are also calculated and need further experiments to verify. The present results indicate that the hexagonal TaC and NbC are potential candidates as topological superconductors, and pave the way towards exploring the superconductivity and topological materials in condensed matter systems.
RESUMEN
The particle swarm optimization algorithm and density functional theory (DFT) are extensively performed to determine the structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) in the pressure range of 0 to 100 GPa. Two novel high-pressure structures of LaP and LaAs are first reported here. It is found that LaX (X = P, As) undergo a phase transition from NaCl-type structure (Fm3m) to CsCl-type structure (P4/mmm) at 19.04 GPa and 17.22 GPa, respectively. With the elevation of the pressure, C2/m-LaP and Imma-LaAs are the most stable structures up to 70.08 GPa and 85.53 GPa, respectively. Finally, the analysis of the elastic constants and hardness confirms that the C2/m-LaP possesses hardness values up to 23.24 GPa due to the strong covalent P-P bonding and ionic La-P bonding, indicating that it is a potential hard material.
RESUMEN
We demonstrate the transition of lasing modes in the resonating cavity constructed by polystyrene opal photonic crystals and 7 wt. % tert-butyl Rhodamine B doped polymer film. Both single mode and multiple mode lasing emission are observed from the resonating cavity. The lasing threshold is determined to be 0.81 µJ/pulse for single mode lasing emission and 2.25 µJ/pulse for multiple mode lasing emission. The single mode lasing emission is attributed to photonic lasing resulting from the photonic bandgap effect of the opal photonic crystals, while the multiple mode lasing emission is assigned to random lasing due to the defects in the photonic crystals. The result would benefit the development of low threshold polymeric solid state photonic crystal lasers.
RESUMEN
We demonstrate low threshold lasing oscillation in a photonic crystal (PhC) laser by using tert-butyl Rhodamine B (t-Bu-RhB) doped gain media. Lactonic t-Bu-RhB is synthesized to improve doping concentration in polymethylmethacrylate (PMMA) films, and then isomerized to the zwitterion form to achieve highly fluorescent gain medium. The t-Bu-RhB doped PMMA film is sandwiched by a pair of polystyrene colloidal crystals to construct a PhC resonating cavity. Single-mode laser oscillation at 592 nm is observed when the PhC resonating cavity is pumped by a Nd:YAG laser. The lasing threshold is 0.12 MW cm(-2) utilizing 6.9 wt% t-Bu-RhB doped PMMA films, which is only 1/60 of that with 3 wt% t-Bu-RhB doped PMMA films. The concentration-dependent lasing action is attributed to different gain factors of the t-Bu-RhB doped PMMA films. Furthermore, a spatially and spectrally coherent laser beam from the PhC resonating cavity is verified by exploring the far-field image and angular dependence of the lasing emission. The approach provides a facile and efficient strategy to reduce the lasing threshold for fabricating low threshold PhC lasers.