118 kinds of Pt-Zr phases were established and investigated by considering various structures. Then the related physical properties, such as structural stability, lattice constants, formation enthalpies, elastic constants and bulk moduli, are obtained by ab initio calculations. Based on the calculated results of formation enthalpies, the ground-state convex hull is derived for the Pt-Zr system. The calculated physical data would provide a basis for further thermodynamic calculations and atomistic simulations. For these Pt-Zr compounds, it is found there are a positive linear correlation between the formation enthalpies and atomic volumes, and a negative linear correlation between the bulk modules and atomic volumes.
Atomic configuration and connectivity of Sb_2Te_3 thin film are investigated using high-energy X-ray diffraction and reverse Monte Carlo simulation. Atomic model details of Sb_2Te_3 thin film are compared with liquid and amorphous Sb_2Te_3 reported in other article. Simulations show that both Sb–Sb and Te–Te homopolar bonds are present in the models. In phase transition process,atomic configuration of the sample rearranges gradually through the forming of Sb–Te bonds and the breaking of Sb–Sb and Te–Te bonds.
Ling ZhangSan-Nian SongHe LinYan ChengWei XiLe LiYan HeZhi-Tang Song
Thermal stability,crystallization behavior,Vickers hardness and magnetic properties of the Fe41Co7-xNixCr15Mo14C15B6Y2（x=0,1,3,5） bulk metallic glasses were investigated.The Fe41Co7-xNixCr15Mo14C15B6Y2（x=0,1,3,5） metallic glasses were fabricated by copper mold casting method.The thermal stability and crystallization behavior of the metallic glass rods were investigated by differential scanning calorimetry and isothermal experiments.Hardness measurements for samples annealed at different temperatures for different time were carried out at room temperature by the Vickers hardness tester,and magnetic measurements were performed at different temperatures by the vibrating sample magnetometer.It is shown that the addition of Ni does not play a positive role for enlarging ΔTx and GFA from parameter γ（=Tx/（Tg＋Tl））,and it can,however,increase the activation energy in the initial stage of crystallization by changing the initial crystallization behavior.The minor addition of Ni can refine the crystal grain obtained from the full crystallization experiment.The primary crystallization causes the decrease of hardness in these alloys,and as the crystallization continues,the hardness in all samples increases instead due to the precipitation of carbide and boride.The annealing temperature has an obvious effect on magnetic properties of these alloys,and the minor addition of Ni can effectively prevent the alloy annealed at high temperature to transform from paramagnetic to ferromagnetic state.
The soft X-ray interference lithography(XIL) branch beamline at Shanghai Synchrotron Radiation Facility(SSRF) is briefly introduced in this article. It is designed for obtaining 1D(line/space) and 2D(dot/hole)periodic nanostructures by using two or more coherent extreme ultraviolet(EUV) beams from an undulator source. A transmission-diffraction-grating type of interferometer is used at the end station. Initial results reveal high performance of the beamline, with 50 nm half-pitch 1D and 2D patterns from a single exposure area of400 μm× 400 μm. XIL is used in a growing number of areas, such as EUV resist test, surface enhanced Raman scattering(SERS) and color filter plasmonic devices. By using highly coherent EUV beam, broadband coherent diffractive imaging can be performed on the XIL beamline. Well reconstructed pinhole of φ20 μm has been realized.
Tensile elastic behavior of bulk Zr46（Cu4.5/5.5Ag1/5.5）46Al8 metallic glass was experimentally investigated. It exhibited linear and non-linear time-independent elastic deformation with a demarcative stress of approximately 500 MPa within the timescale in the present work, and repeated loading-unloading before yielding did not alter stress-strain relationship. The pure linear elastic strain limit is 0.6%, significantly lower than 2% as generally reported, but still much higher than 0.1% observed for typical crystalline alloys. Deviation from linear elastic behavior at stresses higher than 500 MPa is explained here as a macroscopic manifestation of local fluctuations in elastic strain, which becomes pronounced at stresses higher than the critical value. The occurrence of non-linear elasticity is possibly also related to the sinusoidal relationship between shear stress and atomic displacement.
A comprehensive study on Raman spectroscopy with different excitation wavelengths, sample sizes, and sample shapes for optic phonons （OPs） and acoustic phonons （APs） in polar and non-polar nano-semiconductors has been performed. The study affirms that the finite size effect does not appear in the OPs of polar nano-semiconductors, while it exists in all other types of phonons. The absence of the FSE is confirmed to originate from the long-range FrShlieh interaction and the breaking of translation symmetry. The result indicates that the Raman spectra of OPs cannot be used as a method to characterize the scale and crystalline property of polar nano-semiconductors.
Emergent Dirac fermion states underlie many intriguing properties of graphene,and the search for them constitutes one strong motivation to explore two-dimensional(2D)allotropes of other elements.Phosphorene,the ultrathin layers of black phosphorous,has been a subject of intense investigations recently,and it was found that other group-Va elements could also form 2D layers with similar puckered lattice structure.Here,by a close examination of their electronic band structure evolution,we discover two types of Dirac fermion states emerging in the low-energy spectrum.One pair of(type-I)Dirac points is sitting on high-symmetry lines,while two pairs of(type-II)Dirac points are located at generic k-points,with different anisotropic dispersions determined by the reduced symmetries at their locations.Such fully-unpinned(type-II)2D Dirac points are discovered for the first time.In the absence of spin-orbit coupling(SOC),we find that each Dirac node is protected by the sublattice symmetry from gap opening,which is in turn ensured by any one of three point group symmetries.The SOC generally gaps the Dirac nodes,and for the type-I case,this drives the system into a quantum spin Hall insulator phase.We suggest possible ways to realise the unpinned Dirac points in strained phosphorene.
Yunhao LuDi ZhouGuoqing ChangShan GuanWeiguang ChenYinzhu JiangJianzhong JiangXue-sen WangShengyuan A YangYuan Ping FengYoshiyuki KawazoeHsin Lin
