RESUMO
Two-dimensional (2D) Fe chalcogenides with their rich structures and properties are highly desirable for revealing the torturous transition mechanism of Fe chalcogenides and exploring their potential applications in spintronics and nanoelectronics. Hydrostatic pressure can effectively stimulate phase transitions between various ordered states, allowing one to successfully plot a phase diagram for a given material. Herein, the structural evolution and transport characteristics of 2D FeTe were systematically investigated under extreme conditions by comparing two distinct symmetries, i.e., tetragonal (t) and hexagonal (h) FeTe. We found that t-FeTe presented a pressure-induced transition from an antiferromagnetic state to a ferromagnetic state at â¼3 GPa, corresponding to the tetragonal collapse of the layered structure. Contrarily, the ferromagnetic order of h-FeTe was retained up to 15 GPa, which was evidently confirmed by electrical transport and Raman measurements. Furthermore, T-P phase diagrams for t-FeTe and h-FeTe were mapped under delicate critical conditions. Our results can provide a unique platform to elaborate the extraordinary properties of Fe chalcogenides and further develop their applications.
RESUMO
CONTEXT AND RESULTS: 2,4,6-triazide-1,3,5-triazine (TAT) has received widespread attention for its great potential to synthesize or convert to nitrogen-rich high energy density materials (HEDMs). The TAT structure alteration in the compression process up to 30 GPa has characteristics as follows: (a) [N3] groups straighten; (b) [N3] groups gather toward the six-membered C-N heterocycles. At about 5 GPa, Raman peak split at 700 cm-1 was observed both in calculation and in-situ Raman experiment, which is caused by pressure-induced intramolecular stress. Besides, the broad band of the amorphous two-dimensional C=N network (centered at 1630 cm-1) occurred at about 12 GPa. Meantime, the study on electronic features suggests the pressure-induced deformation in TAT molecular structure cause the discontinuous change of band gap at about 4.5 GPa and 8.0 GPa, respectively. COMPUTATIONAL AND THEORETICAL TECHNIQUES: The static compression process of TAT was explored in the range of 0-30 GPa by using dispersion corrected density functional theory (DFT-D) calculations combined with in-situ Raman experiment. The GGA/PBE+G06 method that has less errors than other calculation methods was used to predict the geometry structure, vibrational properties and electronic structure of TAT under pressure.
RESUMO
To explore the basic mechanical properties and size effects of recycled aggregate concrete (RAC) with different substitution ratios of coarse recycled concrete aggregates (CRCAs) to replace natural coarse aggregates (NCA), the failure modes and mechanical parameters of RAC under different loading conditions including compression, splitting tensile resistance and direct shear were compared and analyzed. The conclusions drawn are as follows: the failure mechanisms of concrete with different substitution ratios of CRCAs are similar; with the increase in substitution ratio, the peak compressive stress and peak tensile stress of RAC decrease gradually, the splitting limit displacement decreases, and the splitting tensile modulus slightly increases; with the increase in the concrete cube's side length, the peak compressive stress of RAC declines gradually, but the integrity after compression is gradually improved; and the increase in the substitution ratio of the recycled aggregate reduces the impact of the size effect on the peak compressive stress of RAC. Furthermore, an influence equation of the coupling effect of the substitution ratio and size effect on the peak compressive stress of RAC was quantitatively established. The research results are of great significance for the engineering application of RAC and the strength selection of RAC structure design.