The formation and stability of quasicrystal in Al80Mn14Si6 under high static pressure

Abstract

The method of quenching in fusing state under high static pressure (MQFSHP) was applied for the first time to prepare the quasicrystal icosahedral phase of Al₈₀Mn₁₄Si₆ alloy. The pressure was from 2.8GPa to 3.1GPa and the cooling rate during quenching was of about 100°C/s. Some sharp electron diffraction spots showing an arrangement with a five-fold symmetry axis and noncrystalline ring have been observed in electron diffraction experiment.

The crystallization temperature of I phase obtained from high pressure(HP) is close to that of rapid cooling ribbon, but the cooling rate of the sample obtained is lower than that of rapid cooling ribbon.     

A study on the formation and stability of quasicrystal in Al4Mn and Al6Cr

Abstract

The condition of the formation of quasicrystal in Al₄Mn and Al₆Cr under high static pressure has been investigated for the first time. I-phase and T-phase have been observed in electron diffraction experiment. The structures of Al₄Mn quenched at about 100 K/s are different under various pressure from 0.95GPa to 4.45GPa. The phase transition from I- and T-phase to crystal phase has also been investigated.     

静高压下Al-Mn准晶形成及其结构稳定性的研究

 静高压（4.5 GPa）下Al₆Mn合金熔态淬火（冷却速度约为10² ℃/s），得到Al₆Mn合金的高压淬火样品。X射线分析表明：Al₆Mn合金的高压淬火样品中含有准晶二十面体相、Al₆Mn相及Al的面心立方相；与常压结果相比，高压淬火方法的冷却速率可比常压的低约3个数量级的条件下产生准晶二十面体相。其晶化温度与急冷甩带的相近。对静高压（2.5 GPa）下Al₆Mn准晶条带样品的晶化过程进行了研究。X射线分析表明：静高压下Al₆Mn准晶条带样品的晶化过程中，出现了一种新的未知亚稳相——准晶向晶体转化中的一种中间过渡态，具有类T相形式；与常压结果比较，高压下准晶相晶化温度提高。     

高温高压下Mg_xZn_(1-x)O固溶体的制备

研究了高温高压下制备MgxZn1-xO(0.30x0.60)固溶体的过程.在1000—2000℃和4—5.6GPa的条件下,制备出稳定的单一立方相MgxZn1-xO(x=0.4,0.5,0.6)固溶体,解决了常压下MgxZn1-xO的分相问题.通过X射线衍射仪和扫描电子显微镜等测试手段,对MgxZn1-xO样品进行了表征,阐明了立方相MgxZn1-xO的形成机制,给出了高压下MgxZn1-xO固溶体的温度与组分相图.     

A luminescence study of B-type Eu2O3 under pressure

Abstract

Luminescence spectra from Eu³ + ion in B-type (monoclinic) ₂O₃ powder have been recorded at room temperature as a function of pressure using a diamond anvil cell. Changes in the spectral pattern of the Eu³ + ion emission at about 4 GPa indicated that a phase transition to the A-type (hexagonal) structure had taken place. Upon release of the applied pressure, the B-type structure was regained with hysteresis. The spectral shifts with pressure have been used to study the effect of pressure on the spin-orbit interaction of the 4f electrons in the Ed + ion. The relationship between the relative changes in the spin-orbit coupling constant, ζ_4f, and the volume accompanying the phase transition is also discussed.     

A study on the electrical property of HgSe under high pressure

Using a microcircuit fabricated on a diamond anvil cell, we have measured in-situ conductivity of HgSe under high pressures, and investigated the temperature dependence of conductivity under several different pressures. The result shows that HgSe has a pressure-induced transition sequence from a semimetal to a semiconductor to a metal, similar to that in HgTe. Several discontinuous changes in conductivity are observed at around 1.5, 17, 29 and 49GPa, corresponding to the phase transitions from zinc-blende to cinnabar to rocksalt to orthorhombic to an unknown structure, respectively. In comparison with HgTe, it is speculated that the unknown structure may be a distorted CsCl structure. For the cinnabar-HgSe, the energy gap as a function of pressure is obtained according to the temperature dependence of conductivity. The plot of the temperature dependence of conductivity indicates that the unknown structure of HgSe has an electrical property of a conductor.     

菱铁矿FeCO3高压相变与性质的第一性原理研究

采用平面波赝势方法对菱铁矿FeCO₃高压下的晶体结构, 电子构型和电子结构进行了第一性原理计算研究. 研究过程中考虑了菱铁矿FeCO₃真实的反铁磁(AFM) 自旋有序态, 模拟静水压环境, 从零压逐步加压到500 GPa. 在40---50 GPa压力范围内, FeCO₃发生了从高自旋(HS) AFM态到低自旋(LS) 非磁性(NM) 态的磁性相变, 伴随着晶胞体积坍塌10.5%. FeCO₃在相变前后均是绝缘体, 但是相变后的LS-NM态的Fe²⁺ 离子的3d电子局域化程度更强, 能隙随着压力的进一步增大而逐步增大, 离化程度更高, 直到500 GPa没有发生金属绝缘体相变.     

Structural investigation of high-tc superconductors under high pressure

Abstract

The results of X-ray investigations of Tl₂Ba₂Ca₂Cu₃O₁₀ show a preferential c-axis decrease under high pressure, leading to a bulk modulus of B = 1370 kbar at 300 K. The results are compared to previous investigations of La₂CuO₄, La_1.8Sr_0.2CuO₄ and Pr₂CuO₄, that show a similar linear compressibility in a- and b- axis direction. The linear compressibility in c-axis direction is dominated by the degeneration of the Cu-O octohedra and by the compressibility of intercalated layers.     

A neutron diffraction study of the high pressure structural phase transition in (CD3ND3)2MnCl4

Abstract

High-pressure neutron diffraction experiments have been performed at room temperature on a powdered sample of the perovskite type-layer compound (CD₃ND₃)₂MnCl₄. A phase transition from the orthorhombic room-temperature phase (ORT) to a new high-pressure phase (HP) is demonstrated at 20.5 ± 0.2 kbars. A monoclinic unit cell with lattice parameters a = 6.824 (5) Å; b = 7.409 (8) Å c = 17.126 (12) Å and β = 82.94(9)° has been inferred for the HP phase, consistent with a two-dimensional perovskite-type structure. The HP phase appears to be much more compact than ORT; it is characterized, in particular, by an important compression (?10%) of the inter-layer distance. Space groups P2/c or P2₁/c consistent with the experimental data have been deduced for the HP phase, after group theoretical considerations based on shear transformation and order-disorder mechanisms.     

X-ray study of SnO2 under high pressure and temperature generated with sintered diamond anvils

Abstract

In-situ X-ray diffraction technique using synchrotron radiation was applied for polymorphic transitions in SnO₂ under high pressure and temperature generated with 6–8 type double-stage multianvils made of sintered diamond. At 23.6 GPa, the mixed phases of rutile-type structure (R-SnO₂) and columbite-type (c-SnO₂) were heated: at 700°C peaks of fluorite-type structure (F-SnO₂) began to appear, and at 1000°C, C-SnO₂ and 5m later R-SnO₂ disappeared completely and a single phase of F-SnO₂ was recognized, indicating a direct transition from R-SnO₂ to F-SnO₂. The volume reduction of 5.3% was obtained for C-SnO₂→F-SnO₂ transition.     

Applications of nano-polycrystalline diamond anvils to X-ray absorption spectroscopy under high pressure

ABSTRACT

Recently, nano-polycrystalline diamond (NPD) anvils have been widely applied in high pressure research using X-ray absorption spectroscopy (XAS). The nanometer-sized polycrystallization in NPD anvils enables us to obtain glitch-free X-ray absorption spectra. This advantage of NPD anvils drastically improves the experimental conditions of XAS, which has previously used conventional single-crystal diamond (SCD) anvils. Distorted spectra due to the glitches from the SCD anvils have been an inevitable problem of XAS. This paper reviews recent studies of XAS and related spectroscopic techniques using the NPD anvils, which have mainly been performed on BL39XU of SPring-8. We demonstrate how NPD anvils are useful when using XAS for high pressure research.     

高压处理对Cu75.15Al24.85合金组织与电阻率的影响

本文借助金相显微镜, XRD, SEM和DSC等手段对Cu_75.15Al_24.85合金经1-5 GPa压力, 750℃保温15 min处理前后的组织结构进行了分析,并用电阻率测试仪对合金的 电阻率进行测试,以此探讨了高压处理对Cu_75.15Al_24.85合金组织与电阻率的影响. 结果表明:高压处理能细化Cu_75.15Al_24.85合金的组织,增大合金的电阻率, 当压力为3 GPa时,该合金获得的组织最细小,电阻率最大.     

The baddeleyite-type high pressure phase of Ca(OH)2

Abstract

A phase transition from Ca(OH)₂ I (portlandite) to Ca(OH)₂ II at high pressure and temperature has been confirmed, using in situ x-ray diffraction in a multianvil high pressure device (DIA). The structure was determined at 9.5 GPa and room temperature from data collected after heating the sample at 300°C at 7.2 GPa in a diamond anvil cell. Both the Le Bail fit and preliminary Rietveld refinement suggest that the new phase, which reverts to Ca(OH), I during pressure release, has a structure related to that of baddeleyite (ZrO₁); it is monoclinic (P2₁/c) with a= 4.887(2), b= 5.834(2), c = 5.587(2), β = 99.74(2)°. The coordination number of Ca increases from six to seven (5 + 2) across the transition. At 500°C, the phase boundary is bracketed at 5.7 ± 0.4 GPa by reversal experiments performed in the DIA.     

压力下应变异质结中施主杂质态的Stark效应

对应变GaN/Al_xGa_1-xN异质结系统,考虑理想界面突变势垒,引入简化相干势近似,采用变分法讨论了流体静压力下外界电场对束缚于界面附近的浅杂质态结合能的影响.对GaN为衬底的闪锌矿应变异质结,分别计算了(001)和(111)取向时杂质态的结合能随压力、杂质位置、电场强度以及组分的变化关系.结果表明,杂质态结合能随流体静压力呈近线性变化.电场对杂质态的Stark效应则随杂质位置不同而呈现谱线蓝、红移动.此外,还讨论了在不同压力情况下,Al组分对杂质结合能的影响.当杂质处于GaN材料中且距界面较远时,Al组分的增加使电子的二维特性增强,从而使结合能增大,且压力加剧增幅的增加;当杂质处于Al_xGa_1-xN材料中,Al组分的增加削弱了杂质与电子间的库仑相互作用,故而结合能降低. 关键词： xGa_1-xN异质结')" href="#">GaN/Al_xGa_1-xN异质结 杂质态 压力 Stark效应     

Structural stability and mechanical properties of Be3N2 under high pressure

Abstract

A theoretical investigations on the structural stability and mechanical properties of Be₃N₂ crystallising in α and β phases was performed using first-principles calculations based on density functional theory. The obtained ground state structure and mechanical properties are in excellent agreement with the available experimental and theoretical data. A full elastic tensor and crystal anisotropy of Be₃N₂ in two phases are determined in the wide pressure range. Results indicated that the two phases of Be₃N₂ are mechanically stable and strongly pressure dependent in the range of pressure from 0 to 80 GPa. The superior mechanical properties show that the two phases of Be₃N₂ are potential candidate structures to be the hard material. And the α-Be₃N₂ has better mechanical properties than β-Be₃N₂. By the calculated B/G ratio, it is predicted that both phases are intrinsically brittleness and strongly prone to ductility when the pressure is above 65.6 and 68.5 GPa, respectively. Additionally, the pressure-induced elastic anisotropy analysis indicates that the elastically anisotropic of Be₃N₂ in both phases is strengthening with increasing pressure, and strongly dependent on the propagation direction.     

Spectroscopic study ofβ-Ni(OH)2 under pressure

Infrared absorption and Raman study ofβ-Ni(OH)₂ has been carried out up to 25 GPa and 33 GPa, respectively. The frequency ofA _2u internal antisymmetric stretching O-H mode decreases linearly with pressure at a rate of −0.7 cm⁻1/GPa. The FWHM of this mode increases continuously with pressure and reaches a value of ∼ 120 cm⁻¹ around 25 GPa. There was no discernible change observed in the frequency and width of the symmetric stretchingA _1g O-H Raman mode up to 33 GPa. The constancy of the Raman mode is taken as a signature of the repulsion produced by H-H contacts in this material under pressure. Lack of any discontinuity in these modes suggests that there is no phase transition in this material in the measured pressure range.     

γ-Si3N4在高压下的电子结构和物理性质研究

采用基于密度泛函平面波赝势方法(PWP)和广义梯度近似(GGA-PW91)，计算了不同压强下γ-Si₃N₄的电子结构、光学性质和力学性质.基于计算结果，分析讨论了γ-Si₃N₄各物理参数随外压力的变化规律.计算表明，γ-Si₃N₄是一种适合于在高压条件下工作的材料.     

紫外激光和压力共同作用下C60-peapod的聚合相变研究

采用气相扩散方法将C₆₀分子填充到单壁碳纳米管(SWNTs)中，制备出高填充比率的豆荚形纳米材料C₆₀@SWNT，又称为peapod.用金刚石对顶砧(DAC)装置获得高压，在高压下同时利用紫外激光处理样品，通过激光和压力的共同作用研究了C₆₀分子在碳管内的聚合相变.在21.5GPa高压下，同时紫外激光(325nm)照射30min后，拉曼光谱表明C₆₀分子在碳管内发生了聚合，形成一维链状O相聚合结构，且该相变是不可逆的. 关键词： 60 peapod')" href="#">C₆₀ peapod 紫外激光 高压 拉曼光谱     

A first-principles study on the structural and elastic properties and the equation of state of wurtzite-type cadmium selenide under pressure

A first-principles investigation on the crystal structural and elastic properties and the equation of state of wurtzite-type cadmium selenide (w-CdSe) has been conducted using the plane-wave pseudo-potential density functional theory and the quasi-harmonic Debye model. The elastic constants, the aggregate elastic moduli, the elastic anisotropy, and Poisson's ratio under pressure have been investigated. Our calculated equilibrium lattice constants, the elastic constants, and the aggregate elastic moduli at zero pressure are in good agreement with the experimental data and other theoretical results. The variations in the compressional and shear elastic wave velocities with pressure at zero temperature up to pressure 2.7 GPa have been studied; the computed Debye temperature at zero pressure and zero temperature is in reasonable agreement with the result of Bonello et al., In addition, the equation of state of w-CdSe in the pressure range of 0–2.7 GPa and up to a temperature of 900 K has also been obtained.     

Orthorhombic to tetragonal phase transition in high TC superconductor YBa2Cu3O7-y and NdBa2Cu3O7-z under high pressure

Abstract

X-ray powder diffraction measurements for YBa₂Cu₃O_7-y and NdBa₂Cu₃O_7-y were made at the intense synchrotron radiation source under high pressure up to 5 GPa. These samples were wrapped tightly in platinum foil to avoid deoxidizing atmosphere. The orthorhombic to tetragonal transition temperature increases with pressure in both samples. These results are discussed on the basis of the disordering of the oxygen atoms on the chain sites.