Isostructural Phase Transition of TiN under High Pressure

In situ high-pressure energy dispersive x-ray diffraction experiments on polycrystalline powder TiN with NaCltype structure have been conducted with the pressure up to 30.1 GPa by using a diamond anvil cell instrument with synchrotron radiation at room temperature. The experimental results suggest that an isostructural phase transition might exist at about 7 GPa as revealed by the discontinuity of V/Vo with pressure.     

钙钛矿型(Pbnm)化合物在高压下的结构变化

ABX₃型钙钛矿,最常见的结构为斜方晶系Pbnm,在高压下的结构变化具有多样性.本文简要介绍了3个参量(t,V_A/V_B,E_tot),描述ABX₃型钙钛矿结构的稳定性,全面总结了应用这3个参量建立的高压下钙钛矿结构(Pbnm)变化模型,基中有些模型对所有的钙钛矿结构都适合.通过举例,运用不同的模型对CaTiO₃(Pbnm)在高压下的结构变化进行综合分析,定性地得出随着压力的增加其结构的对称性应降低.     

Pressure-Induced Phase Transition in BaTiO3 Nanocrystals

The crystal structure and electric properties of BaTiO3 nanocrystals are studied by in situ high-pressure synchrotron radiation x-ray powder diffraction. The phase transition takes place not only in the samples of BaTiO3 nanocrystals that are tetragonal phase with grain sizes more than 100nm, but also in the samples of BaTiO3 nanocrystals that are cubic phase with grain sizes less than 100nm. The pressures of phase transition are found to increase with decrease of the grain size from about 4 to 10GPa for crystallites ranging from 200 to 10nm in radius. The bulk moduli are calculated according to Birch-Murnaghan state equation before and after the phase transition.     

BeO的高压能量色散X射线衍射研究

在北京同步辐射高压站进行了BeO高压原位能量色散X射线衍射实验. 在从常压下加压至42GPa的过程中,BeO保持常压的六方纤锌矿结构(Wurtzite),没有发生相变,晶胞体积随着压力增加单调减小.用Murnaghan方程拟合出BeO在0.6—42.0GPa范围内的P-V状态方程,得到体弹模量K₀=276GPa.     

Compression Behaviour and Equation of State of Zr44.4Nb7Cu13.5Ni10.9Be24.3 Bulk Metallic Glass up to 39 GPa

The compression of Zr44.4Nb7Cu13.5Ni10.8Be24.3 bulk metallic glass (BMG) is investigated at room temperature up to 39 GPa using in situ high-pressure energy dispersive x-ray diffraction with a synchrotron radiation source. The equation of state of the BMG is obtained by the calculation of the radial distribution function. Pressureinduced structural relaxation is exhibited. It is found that below about 6 GPa, the existence of excess free volume contributes to the rapid structural relaxation, which gives rise to rapid volumetric change, and the structural relaxation results in structural stiffness under higher pressure.     

非晶态SiO2的高温高压转变研究

利用金刚石对顶砧高压装置和激光双面加热技术, 以经700°C热处理后的吉林长白山硅藻土作为非晶态SiO₂样品,在0—4GPa, 1000—1300K温压条件下开展同步辐射X射线衍射原位测试(EDXD方法), 研究非晶态SiO₂在高温高压条件下的结晶转变方式. 测试结果表明, 在0.8—2.4GPa, 1000—1300K温压条件下, 非晶态SiO₂转变成α-石英而非β-石英或方石英, 其结晶温度较常压下非晶态SiO₂晶化所需温度明显较低, 表明压力有利于降低非晶态SiO₂转变的活化能, 并与常压下的结晶产物不同. 在3—4GPa, 1300K温压条件下, 非晶态SiO₂和石英均转变成了柯石英.     

纳米二氧化铈的高压拉曼光谱研究

本文利用金刚石对顶砧高压技术,在0.1MPa～47.5GPa压力范围内对粒径为8nm的纳米CeO2进行了高压拉曼光谱研究。研究结果表明,常压下萤石结构的纳米CeO2(空间群Fm3m)在24.3GPa时开始发生萤石结构到PbCl2类型(空间群Pnam)的结构相变。这个相变为可逆相变,卸压至零压时样品恢复至萤石结构。     

绿柱石的原位高压X射线研究

 采用同步辐射光源和金刚石对顶砧（DAC）技术,对绿柱石进行了室温下的原位高压能散X射线衍射（EDXD）研究,实验的最高压力为19.2 GPa。在实验压力范围内,未观察到绿柱石发生相变,轴压缩率c大于a;在小于9.3 GPa的压力范围内,其体积压缩率符合二阶Murnaghan状态方程,而压力在9.3～19.2 GPa范围内时,其体积压缩率有所增加,且体积-压力关系近乎线性变化。     

高压下ZnSe 纳米带的结构相变及拉曼散射研究

 利用高压原位角散X射线衍射实验研究了ZnSe纳米带的结构稳定性。发现样品在12.6 GPa 附近存在一个从立方闪锌矿型到立方岩盐矿型的结构相变,并且在相变点附近存在较大的体积收缩,相对体积变化率达13%。利用Birch-Murnaghan 状态方程拟合,得到了闪锌矿相的体弹模量约为56 GPa,略低于体材料的体弹模量（约67 GPa）;并得到其立方岩盐矿相的体弹模量约为116 GPa。高压拉曼散射实验结果表明,横光学声子模散射峰在5.5 GPa压力附近发生劈裂,纵光学声子模散射峰在12.8 GPa压力以上逐渐消失。根据角散实验的体弹模量数据,计算得到了闪锌矿相中对应不同声子模式的格林爱森常数。     

Compression behavior and phase transition of β-Si_3N_4 under high pressure

The compressibility and pressure-induced phase transition of β-Si_3N_4 were investigated by using an angle dispersive x-ray diffraction technique in a diamond anvil cell at room temperature. Rietveld refinements of the x-ray powder diffraction data verified that the hexagonal structure(with space group P63/m, Z = 2 formulas per unit cell) β-Si_3N_4 remained stable under high pressure up to 37 GPa. Upon increasing pressure, β-Si3 N4 transformed to δ-Si_3N_4 at about 41 GPa. The initial β-Si_3N_4 was recovered as the pressure was released to ambient pressure, implying that the observed pressureinduced phase transformation was reversible. The pressure–volume data of β-Si_3N_4 was fitted by the third-order Birch–Murnaghan equation of state, which yielded a bulk modulus K_0= 273(2) GPa with its pressure derivative K_0= 4(fixed)and K0= 278(2) GPa with K 0= 5. Furthermore, the compressibility of the unit cell axes(a and c-axes) for the β-Si_3N_4 demonstrated an anisotropic property with increasing pressure.