The effect of pressure on the superconductivity of "111"-type Na1-xFeAs is investigated through temperature-dependent electrical-resistance measurements in a diamond anvil cell. The superconducting transition temperature (T-c) increases from 26 K to a maximum of 31 K as the pressure increases from ambient pressure to 3 GPa. Further increasing pressure suppresses T-c drastically. The behavior of pressure-tuned T-c in Na1-xFeAs is much different from that in LixFeAs, although they have the same Cu2Sb-type structure. Copyright (C) EPLA, 2009

We investigate the compressibility of nanocrystalline tungsten carbide (nano-WC) using synchrotron x-ray diffraction. Nano-WC displays a bulk modulus (452 GPa) comparable to that of diamond; it is 10%-15% larger than previously reported values for bulk WC. This finding is consistent with a generalized model of nanocrystal with a compressed surface layer. The linear bulk moduli of nano-WC along a- and c-axes were determined to be 407 and 546 GPa, respectively. First-principles density functional theory (DFT) calculations confirm the experimental observations of an anisotropic linear compressibility and a lower bulk modulus for microsized WC.

The crystal structure of NH3BH3 was investigated using synchrotron high pressure X-ray diffraction (HPXRD) up to 27 GPa and neutron diffraction up to 5 GPa. Density functional theoretical (DFT) calculations were carried out simultaneously for comparison. The results confirm a pressure induced phase transition from the tetragonal I4mm phase to a high pressure orthorhombic Cmc21 phase around 1.22 GPa. Further increase of pressure above 8 GPa, we observed a second structural transition from Cmc21 to a tri-clinic P1 phase which are reversible with small hysteresis. The transition pressures and the bulk modulus obtained experimentally are in good agreement with theory. (C) 2010 Elsevier B.V. All rights reserved.

Compressibility of periodically twinned silicon carbide nanowires is studied using in situ high pressure X-ray diffraction. Twinned SiC nanowires displayed a bulk modulus of 316 GPa, similar to 20-40% higher than previously reported values for SiC of other morphologies. This finding provides direct evidence of a significant effect of twinned structures on the elastic properties of SiC on the nano scale and supports previous molecular dynamics simulations of twin boundary/stacking fault-induced strengthening. Both experiments and simulations indicate that nanoscale twinning is an effective pathway by which to tailor the mechanical properties of nanostructures. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

We report on a comprehensive study of thermodynamic and mechanical properties as well as a bond-deformation mechanism on ultra-incompressible Re(2)N and Re(3)N. The introduction of nitrogen into the rhenium lattice leads to thermodynamic instability in Re(2)N at ambient conditions and enhanced incompressibility and strength for both rhenium nitrides. Rhenium nitrides, however, show substantially lower ideal shear strength than hard ReB(2) and superhard c-BN, suggesting that they cannot be intrinsically superhard. An intriguing soft "ionic bond mediated plastic deformation" mechanism is revealed to underline the physical origin of their unusual mechanical strength. These results suggest a need to reformulate the design concept of intrinsically superhard transition-metal nitrides, borides, and carbides.

We investigated the processing conditions of diamond/tungsten carbide (WC) composites using in situ synchrotron x-ray diffraction (XRD) and reactive sintering techniques at high pressure and high temperatures. The as-synthesized composites were characterized by synchrotron XRD, scanning electron microscopy, high-resolution transmission electron microscopy, and indentation hardness measurements. Through tuning of the reaction temperature and time, we produced fully reacted, well-sintered, and nanostructured diamond composites with Vickers hardness of about 55 GPa and the grain size of WC binding matrix smaller than 50 nm. A specific set of orientation relationships between WC and tungsten is identified to gain microstructural insight into the reaction mechanism between diamond and tungsten. (C) 2011 American Institute of Physics. [doi:10.1063/1.3570645]

The effect of pressure on the crystalline structure and superconducting transition temperature (T-c) of the 111-type Na1-xFeAs system using in situ high-pressure synchrotron X-ray powder diffraction and diamond anvil cell techniques is studied. A pressure-induced tetragonal to tetragonal isostructural phase transition was found. The systematic evolution of the FeAs4 tetrahedron as a function of pressure based on Rietveld refinements on the powder X-ray diffraction patterns was obtained. The nonmonotonic T-c(P) behavior of Na1-xFeAs is found to correlate with the anomalies of the distance between the anion (As) and the iron layer as well as the bond angle of As-Fe-As for the two tetragonal phases. This behavior provides the key structural information in understanding the origin of the pressure dependence of T-c for 111-type iron pnictide superconductors. A pressure-induced structural phase transition is also observed at 20 GPa.

Using density functional theory, we show that the long-believed transition-metal tetraborides (TB4) of tungsten and molybdenum are in fact triborides (TB3). This finding is supported by thermodynamic, mechanical, and phonon instabilities of TB4, and it challenges the previously proposed origin of superhardness of these compounds and the predictability of the generally used hardness model. Theoretical calculations for the newly identified stable TB3 structure correctly reproduce their structural and mechanical properties, as well as the experimental x-ray diffraction pattern. However, the relatively low shear moduli and strengths suggest that TB3 cannot be intrinsically stronger than c-BN. The origin of the lattice instability of TB3 under large shear strain that occurs at the atomic level during plastic deformation can be attributed to valence charge depletion between boron and metal atoms, which enables easy sliding of boron layers between the metal ones.

Among transition metal nitrides, tungsten nitrides possess unique and/or superior chemical, mechanical, and thermal properties. Preparation of these nitrides, however, is challenging because the incorporation of nitrogen into tungsten lattice is thermodynamically unfavorable at atmospheric pressure. To date, most materials in the W-N system are in the form of thin films produced by nonequilibrium processes and are often poorly crystallized, which severely limits their use in diverse technological applications. Here we report synthesis of tungsten nitrides through new approaches involving solid-state ion exchange and nitrogen degassing under pressure. We unveil a number of novel nitrides including hexagonal and rhombohedral W2N3. The final products are phase-pure and well-crystallized in bulk forms. For hexagonal W2N3, hexagonal WN, and cubic W3N4, they exhibit elastic properties rivaling or even exceeding cubic-BN. All four nitrides are prepared at a moderate pressure of 5 GPa, the lowest among high-pressure synthesis of transition metal nitrides, making it practically feasible for massive and industrial-scale production.

Hydrostatic pressure, as an alternative of chemical pressure to tune the crystal structure and physical properties, is a significant technique for novel function material design and fundamental research. In this article, we report the phase stability and visible light response of the organolead bromide perovskite, CH3NH3PbBr3 (MAPbBr(3)), under hydrostatic pressure up to 34 GPa at room temperature: Two phase transformations below 2 GPa (from Pm (3) over barm to Im (3) over bar, then to Pnma) and a reversible amorphization starting from about 2 GPa were observed, which could be attributed to the tilting of PbBr6 octahedra and destroying of long-range ordering of MA cations, respectively. The visible light response of MAPbBr3 to pressure was studied by in situ photoluminescence, electric resistance, photocurrent measurements and first-principle simulations. The anomalous band gap evolution during compression with red-shift followed by blue-shift is explained by the competition between compression effect and pressure-induced amorphization. Along with the amorphization process accomplished around 25 GPa, the resistance increased by 5 orders of magnitude while the system still maintains its semiconductor characteristics and considerable response to the visible light irradiation. Our results not only show that hydrostatic pressure may provide an applicable tool for the organohalide perovskites based photovoltaic device functioning as switcher or controller, but also shed light on the exploration of more amorphous organometal composites as potential light absorber.