高温高压合成的SrSiO3:Eu3+Bi3+的结构及其对发光特性的影响

 本文首次报道在3.15 GPa、1 200 ℃高温高压条件下合成出了SrSiO₃:Eu³⁺Bi³⁺发光材料，并与常压合成产物相比较，研究了高温高压合成产物的结构以及合成压力、温度对发光特性的影响。结果表明，高压合成产物SrSiO₃:Eu³⁺Bi³⁺的结构为膺正交（单斜）结构，而常压合成的为六角结构，高压使发光强度下降，量子发光效率下降了88%，谱线红移达756 cm^-1，半值宽度也显著增加，发光性能的改变是由于压致结构的变化引起的。     

准静水压条件下SrF2的X射线衍射

利用同步辐射能量色散X射线衍射技术对SrF₂进行了高压相变实验研究. 实验以Ar作为传压介质, 以获得准静水压条件. 实验用红宝石荧光法标定样品压力, 得到的最高压力为44.2GPa. 在实验压力范围内, SrF₂在11.2GPa时发生了从立方晶系到正交晶系的相变, 通过拟合相变前后的P-V状态 方程, 得到立方SrF₂的体弹模量为70.0(5.0)GPa, 正交SrF₂的体弹模量为198.3(15.2)GPa. 卸压到零压时, SrF₂回到立方相结构.     

α-LiIO3的高压同步辐射研究

通过原位下的高压同步辐射X光衍射技术,对具有六方结构的α-LiIO₃的相稳定性进行了研究,压力范围从0.1MPa到36.0GPa.实验表明在15.6GPa—23.8GPa压力区间,α-LiIO₃发生了结构相变.     

连续激光辐照下二氧化钒薄膜热致相变实验研究

 介绍了VO₂薄膜的相变原理，用磁控离子溅射法制备了VO₂薄膜，并进行了X射线衍射和不同温度下的光谱透过率测量。在1.319 μm 连续波激光辐照下，实时测量了VO₂薄膜的温度变化，以及由于温度变化引起相变后对激光透过率的变化。结果表明，入射到薄膜表面的平均功率为8.9 W、光斑直径2 mm时，激光出光480 ms后，VO₂的温度从室温上升到约100 ℃，薄膜发生了相变，其对1.319 μm激光的透过率从相变前的48％降为相变后的28％。     

18 MeV质子辐照对TiNi形状记忆合金R相变的影响

 研究了用HZ-B串列加速器的18MeV质子辐照对TiNi形状记忆合金R相变的影响，辐照在奥氏体母相状态下进行。示差扫描量热法（DSC）表明，辐照后R相变开始温度T^s_R和逆马氏体相变结束温度T^f_A随辐照注量的增加而降低。当注量为1.53×10¹⁴/cm²时，T^sR和T^f_A分别下降6K和13K，辐照未引起R相变结束温度T^s_R和逆马氏体相变开始温度T^f_A的变化。表明辐照后母相(奥氏体相)稳定。透射电镜（TEM）分析表明辐照后没有引起合金可观察的微观组织变化。辐照对R相变开始温度T^s_{R和逆马氏体相变结束温度Af的影响可能是由于质子辐照后产生了孤立的缺陷团，形成了局部应力场，引起晶格有序度的下降所造成的。}     

z切LiTaO3单晶的冲击相变研究

利用二级轻气炮加载下的冲击Hugoniot线(冲击波速度D-粒子速度u关系)和粒子速度剖面测量，结合基于密度泛函理论的平面波赝势计算研究了z切LiTaO₃单晶的高压相变.实验发现，D-u关系在u=0.95km/s附近出现明显拐折；实测波剖面中25.9 GPa和32.6 GPa时观测到弹-塑性双波结构，而终态压力为42.7 GPa和53.0 GPa时则为三波结构.上述结果都清楚地表明z切LiTaO₃单晶冲击相变的发生，相变起始压力约为37.9 GPa.同时，理论计算的菱形相(R3c对称群)压缩线与低压实验数据符合较好，而正交相(Pbnm对称群)压缩线则与扣除热压贡献的高压实验数据相符，由此推断z-切LiTaO₃的高压相为正交结构.从实验和理论上澄清了z切LiTaO₃的相变起始压力和高压相晶体结构的认识，研究工作亦对类似单晶材料的冲击相变研究有参考价值.     

高温高压下Zr2AlC的结构及热学性质的第一性原理

利用密度泛函理论研究了高温高压下Zr₂AlC的结构和热力学性质,计算得到Zr₂AlC的晶格参数与实验值符合较好．研究了Zr₂AlC的弹性常数、体模量、剪切模量和杨氏模量等力学性质随压力变化的趋势．同时研究了维氏硬度随压力的变化趋势．通过计算得到的杨氏模量预测了Zr₂AlC的弹性各向异性．最后,基于准简谐德拜模型,成功预测了Zr₂AlC的德拜温度、热容、热膨胀系数和Grüneisen参数随着压强和温度的变化关系.     

Mn3Zn0.8Ni0.2N的高压同步辐射研究

 利用金刚石对顶压砧,对钙钛矿型金属锰化物Mn₃Zn_0.8Ni_0.2N进行了原位高压同步辐射角散X射线衍射研究。研究表明,在0~29.9 GPa的压力区间内,样品没有发生结构相变,因而在该压力下样品的物性变化并非由结构相变所导致。卸压以后,样品的特征峰都回到了初始位置。通过Birch-Murnaghan方程,拟合得到了样品的体弹模量为86.5 GPa。     

β-BaB2O4晶体高压相变的X光衍射研究

 我们用金刚石压砧装置（DAC）高压X射线粉末衍射照相方法，研究了β-BaB₂O₄晶体的相变。压力从0.1 MPa逐步加至17.6 GPa，发现BBO由室温下的六方相经历了若干次相变后，当压力加至11.5 GPa时，转变为无定形相。在11.5 GPa压力前的相变是可逆的，一旦进入无定形相，则相变是不可逆的。     

压力对纳米CoFe2O4/SiO2复合材料结构的影响

 采用溶胶-凝胶工艺和高温高压实验技术,制备了纳米CoFe₂O₄/SiO₂复合材料。利用X射线衍射仪、扫描电子显微镜和振动样品磁强计,对样品的结构、微观形貌和磁性进行了研究,并对CoFe₂O₄中阳离子的占位情况进行了讨论。结果表明,随着处理压力的升高,样品的晶粒尺寸增大,晶格常数减小,比饱和磁化强度增大。通过计算结果可以推断,压力的升高导致CoFe₂O₄中的部分Fe³⁺从A位移向了B位,而部分Co²⁺则从B位移向了A位。     

LiIO3多型性相变的进一步研究

本文用差热分析、恒温热处理、X射线衍射等方法,对LiIO₃在常压的相变过程做了进一步的研究。对于LiIO₃的常压相变机制有了较为详尽的了解。并发现LiIO₃在高温可相对稳定存在三个相:β,η和δ,它们可分别自行熔化,其熔点相应为:432℃,421℃和416℃,从它们的热经历和存在的温度范围,表明其稳定性顺序为β>η>δ。在室温干燥空气中,与α相和β相共存的还有ζ相,ζ相升温放热转变为β相。在α相存在的温区里,ζ相经过长时间热处理并不转变为α相,同时,ζ相转变为β相的温度比α相高。与α→β的情况相同,β对ζ→β也有诱导作用。而且的ζ存在对α→β也有促进作用。θ相(θ₁与θ₂)与γ相一样,是相变过程的中间过渡相。 关键词：     

LiIO3-NaIO3赝二元系相图及其非晶态晶化动力学的研究

本文对LiIOO₃-NaIO₃赝二元系的相图,相变,非晶态的形成和稳定性,以及晶化的动力学过程等进行了仔细的研究,LiIO₃-NaIO₃赝二元系属共晶体系,共晶温度为325℃,共晶点成份为含50m/o LiIO₃,用共晶点附近成份的试样,在超过熔点150℃的情况下首次获得碘酸盐的非晶态,非晶态的存在降低了LiIO₃的表观相变温度,强X射线的辐照,各种空气湿度,细粒度等因素都加 关键词：     

Structural studies of the P-T phase diagram of sodium niobate

The crystal structure of sodium niobate (NaNbO₃) has been investigated by energy-dispersive X-ray diffraction at high pressures (up to 4.3 GPa) in the temperature range 300–1050 K. At normal conditions, NaNbO₃ has an orthorhombic structure with Pbcm symmetry (antiferroelectric P phase). Upon heating, sodium niobate undergoes a series of consecutive transitions between structural modulated phases P-R-S-T(1)-T(2)-U; these transitions manifest themselves as anomalies in the temperature dependences of the positions and widths of diffraction peaks. Application of high pressure leads to a decrease in the temperatures of the structural transitions to the R, S, T(1), T(2), and U phases with different baric coefficients. A phase diagram for sodium niobate has been build in the pressure range 0–4.3 GPa and the temperature range 300–1050 K. The dependences of the unit-cell parameters and volume on pressure and temperature have been obtained. The bulk modulus and the volume coefficients of thermal expansion have been calculated for different structural modulated phases of sodium niobate. A phase transition (presumably, from the antiferroelectric orthorhombic P phase to the ferroelectric rhombohedral N phase) has been observed at high pressure (P = 1.6 GPa) and room temperature.     

Analysis of phase transition behavior of BaCeO3 with thermal analyses and high temperature X-ray diffraction

Structural phase transitions in BaCeO₃ have been investigated with combination of differential scanning calorimetry (DSC), dilatometry and high temperature X-ray diffraction with high sensitivity and resolution. In DSC curve at heating procedures, baseline shift, endothermic peak and another baseline shift were observed at 260 °C, 385 °C and 895 °C, respectively. From DSC curve at cooling procedure, it was revealed that all the baseline shifts and peak were reversible. No hysteresis was observed in the both baseline shifts indicating second order phase transition at 260 °C and 895 °C with variation of specific heat capacity, ΔC_p, of 10 J/mol K and 7 J/mol K, respectively; whereas the order of the phase transition at 385 °C was revealed to be the first since hysteresis was detected around 370–385 °C. Variation of enthalpy, ΔH, at the phase transition was 45 J/mol. High temperature X-ray diffraction measurements have revealed that the crystal structure of BaCeO₃ changes from primitive orthorhombic perovskite through body-centered one, rhombohedral distorted one to cubic one around 280 °C, 400 °C and 900 °C, showing correspondence with DSC curves. Dependence of molar volume on temperature estimated from high temperature X-ray diffraction showed agreement with thermal expansion behavior observed with dilatometry.     

Raman scattering from three phases in LiIO3

We studied the temperature dependence of the Raman spectrum of LiIO₃, from room temperature up to t ～ 350°C. Two discontinuous changes in the spectrum are observed as temperature increases. The first one is reversible and occurs in a temperature range between 215°C and 260°C, depending upon sample origin (single crystal or powder) and thermal history. The second occurs at t ? 290°C and becomes irreversible once the samples are heated above 340°C. Each phase has a characteristic spectrum, distinct from that of the other two. Although the occurence of these phase changes are in complete agreement with studies made with X-ray diffraction and differential thermal analysis (DTA), it is at variance with previous Raman and infrared work which report no qualitative change in spectrum at the α ? γ phase transition. We believe this disagreement comes about because our measurements are the first ones so far to have actually passed through the transition.     

Effect of pressure on the electrical resistivity of bulk Ge20Te80 glass

An irreversible pressure induced semiconductor-to-metal transition in bulk Ge₂₀Te₈₀ glass is observed at about 5 GPa pressure. The high pressure phase has a face centered cubic structure with a lattice constant 6.42 A° as deduced by X-ray diffraction studies on the pressure quenched samples. The temperature and pressure dependence of the electrical resistivity confirms the observed transition to be a semiconductor-to-metal transition. The temperature dependence of thermo electric power is also reported.     

Phase transition of cadmium fluoride under high pressure

We investigated the high pressure phases of CdF₂ by a joint theoretical and experimental study. The structural and electronic properties of CdF₂ were extensively explored to high pressure by ab initio calculations based on the density functional theory. A structural phase transition from the fluorite-type  (Fm-3m, Z=4) structure to the cotunnite-type (Pnma, Z=4) structure was estimated below 8 GPa, and this phase transition was examined by the high pressure experiments up to 35 GPa at room temperature. Both high pressure angle dispersive X-ray diffraction and Raman spectroscopy experiments provided convincing evidence to verify the phase transition. Our work makes clear pressure-induced phase transitions and structural information of CdF₂ under high pressure.     

Discussion of the generalized phase diagram for ‘regular’ lanthanides under pressure (Abstract)

Abstract

X-ray diffraction studies on the kinetics and hysteresis of the structural phase transitions in lanthanides under pressures up to 58 GPa and temperatures between 200 and 520 K are presented. Estimates of the 0 K equilibrium transition pressures are derived from the pressure and temperature dependence of the activation free energies Δ_aG. A comparison of critical radius ratios, R_ws/R_5p, for all the regular lanthanides at the various phase transitions shows simple systematics in the high pressure behaviour of the lanthanides. The “volume collapse” transitions in lanthanides are compared with the behaviour of the actinides and discussed with respect to f-electron delocalization.     

Phase transition of NaGaO2 at high pressure and high temperature

This work presents a comprehensive study on phase transition in NaGaO₂ under high pressure and temperature (P–T) conditions. X-ray diffraction (XRD) was used to identify the phase composition of the recovered samples. Our results revealed that NaGaO₂ could undergo a structural phase transition from orthorhombic $\beta$- NaGaO₂ to hexagonal $\alpha$- NaGaO₂ under high pressure and temperature. The pressure–temperature phase boundaries of NaGaO₂ were determined up to 5 GPa and 2073 K. The hexagonal $\alpha$- NaGaO₂ sample recovered from higher pressure and temperature exhibited a highly (003) preferred orientation. Besides, a reversible transition from $\alpha$- to $\beta$- NaGaO₂ was observed above 473 K under normal-pressure condition. The high-pressure melting curve of NaGaO₂, for the first time, was measured by using in-situ thermal measurement.     

Pressure-induced structural and electronic transition in KTb(MoO4)2 through Raman and optical studies

Raman and optical absorption studies under pressure have been conducted on KTb(MoO₄)₂ up to 35.5 GPa. A phase transformation occurs at 2.7 GPa when the crystal is pressurized at ambient temperature in a hydrostatic pressure medium. The sample changes to a deep yellow color at the transition and visibly contracts in theα-axis direction. The color shifts to red on further pressure increase. The Raman spectral features and the X-ray powder pattern change abruptly at the transition indicating a structural change. The pressure-induced transition appears to be a property of the layer-type alkali rare earth dimolybdates. However, the color change at the transition in KTb(MoO₄)₂ is rather unusual and is attributed to a valence change in Tb initiated by the structural transition and consequent intervalence charge transfer between Tb and Mo.In situ high pressure X-ray diffraction data suggest that phase II could be orthorhombic with a unit cell having 3 to 4% smaller volume than that of phase I.