原位高压测试技术在高压结构及性质研究中的应用

高压科学是研究不同压力条件下物质的结构、状态、理化性质及变化规律的学科。在高压科学研究中,多以凝聚态物质为研究对象,涉及的领域也非常广泛,包括物理学、化学、材料学、地质学、生物学、航天学等等,是一门以实验为基础的学科。高压科学之所以能成为一门独立的学科,还因为高压研究需要使用特殊且精巧的技术和方法来实现,是以技术创新为牵引的科学研究领域。而今,各种实验测试手段已经可以成熟地运用在该学科中,比较常见的有:高压拉曼散射、高压红外光谱、高压布里渊散射、高压同步辐射XRD、高压电学测量以及高压磁学测量等诸多技术。文章系统介绍了以上高压原位实验测试方法的原理、发展、作用及应用,有助于读者对原位高压测试技术有更深刻的认识和理解,为更高压力下的原位高压探测技术的发展提供重要的基础和借鉴。     

第二类拓扑外尔半金属WP2高压超导相的常压截获

第二类拓扑外尔半金属WP₂高压下发生超导转变,然而,高压超导相能否在常压截获还没有相关报道.本文对密封于金刚石对顶砧中的WP₂高压超导相在室温条件下快速卸压至不同压强,原位测量电阻-温度曲线,验证能否在常压截获高压超导相.研究表明：WP₂的高压超导相可以在常压截获,从而提供了一个通过角分辨光电子能谱和扫描隧道谱探寻马约拉纳零能模的拓扑超导体材料平台.     

压力对固体氩中杂质钠原子吸收光谱的影响

利用等温等压系综Monte Carlo方法, 在低温下(T = 10 K)研究了压力的变化(0~2.4 GPa)对固氩掺钠体系中杂质钠原子吸收光谱的影响. 对于替代数为n_v = 1和2两种掺杂体系, 压力的增加都没有改变钠原子俘获点周围的局域对称性, 只是减小了钠氩、氩氩之间的距离, 使得体系更加致密. 但压力的增大导致了钠原子的吸收谱逐渐变宽, 峰位以及质心谱移向低能方向移动, 即出现红移. 对局域结构属于高对称俘获点n_v =1的掺杂体系, 在较低压力下, 吸收谱为高对称三体线形. 随着压力的增加, 吸收谱开始变宽并移动, 吸收谱重叠成单峰形状. 对局域结构属于低对称性俘获点n_v =2的掺杂体系, 在较低压力下, 吸收谱为单峰加双峰的吸收线形. 随着压力的增大, 单双峰之间的劈裂增大, 双峰重合成单峰形状.     

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21.5 Gpa高压下,同时紫外激光(325 nm)照射30 min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.紫外激光的引入使样品发生O相聚合所需的压力值低于仅由压力诱导的聚合压力.     

Structural stability and electrical properties of AIB2-type MnB2 under high pressureStructural stability and electrical properties of AIB2-type MnB2 under high pressureStructural stability and electrical properties of AIB2-type MnB2 under high pressureStructural stability and electrical properties of AIB2-type MnB2 under high pressure

The structural stability and electrical properties of A1B2-type MnB2 were studied based on high pressure angle- dispersive x-ray diffraction, in situ electrical resistivity measured in a diamond anvil cell （DAC） and first-principles calcu- lations under high pressure. The x-ray diffraction results show that the structure of A1B2-type MnB2 remains stable up to 42.6 GPa. From the equation of state of MnB2, we obtained a bulk modulus value of 169.9~3.7 GPa with a fixed pressure derivative of 4, which indicates that A1B2-type MnB2 is a hard and incompressible material. The electrical resistance un- dergoes a transition at about 19.3 GPa, which can be explained by a transition of manganese 3d electrons from localization to delocalization under high pressure.     

Steady and transient behavior of perylene under high pressure

Pressure can reduce the distances among atoms, thereby modifying the overall optical characteristics of molecules. In this article, the excited state behavior of perylene is carefully observed under isotropic pressure and non-complexing condition. In a steady state, absorption peak shows red shift and spectral width are broadened with pressure increasing, which is ascribed to the π-electron delocalization between molecules. In a transient state, the transition dynamics presents a wavelike tendency with pressure increasing because the shift of self-tapping exciton state is contrary to that of Y-state with pressure increasing. The results conduce to understanding the influence of inter-molecule interaction on excited state behavior with inter-molecule distance decreasing, which contributes to studying the materials under extreme condition.     

高压下过渡金属二硫属化物的超导电性

过渡金属二硫属化物是一类典型的二维类石墨烯层状结构的材料,相比于石墨烯的全碳元素组成以及无带隙的电子结构特点,具有更丰富的元素组成、多样的微观结构和奇异的物理性质。过渡金属二硫属化物强烈的各向异性以及在催化、光伏器件和储能材料等领域的优异表现,引起了科学家们浓厚的研究兴趣。它们的层间范德瓦耳斯间隙、层间范德瓦耳斯相互作用、层间堆垛次序对压力非常敏感,易于通过压力调控其晶体结构和电子能带结构,进而发生电子基态的变化。过渡金属二硫属化物的电子基态可以是莫特绝缘体、激子绝缘体、电荷密度波、半导体、(拓扑)半金属、金属,甚至是超导体。在常压条件下,部分过渡金属二硫属化物具有超导电性。实验表明,压力可以诱导过渡金属二硫属化物非超导母体发生超导转变,或者提高超导母体的超导转变温度。文章以典型的过渡金属二硫属化物为例,概述了其在高压调控下超导电性的响应,并简要讨论产生超导电性的物理机制。     

合成工艺对Sr3B2O6∶Eu2+黄色荧光粉结构和发光性能的影响

采用高温固相法合成了暖白光LED用Sr3B2O6∶Eu2+黄色荧光粉,系统地研究了灼烧温度和保温时间对荧光粉的结构和发光性能的影响.结果表明,荧光粉的最佳合成温度和保温时间分别为1150℃和2h,荧光粉的晶体结构为三角晶系Sr3B2O6,烧结温度和保温时间对晶粒的发育具有重要的影响.荧光粉的激发光谱是主峰位于398 nm宽带谱,近紫外和蓝光均能激发,发射光谱是峰值位于574 nm的宽带谱,烧结温度和保温时间主要影响荧光粉的发光强度.     

锗烷(GeH4)的高压超导相

通过从头算演化理论的结构预测方法,文章作者提出了GeH4的一个高压金属相结构(单斜C2/c),这一结构包含奇特的"H2"单元.焓的计算结果表明,GeH4在压力低于196 GPa时分解为单质Ge和H2,而在高于这一压力时C2/c结构稳定存在.在220 GPa压力下,线性响应微扰理论的计算结果表明,C2/c结构的电子一声子相互作用参数为1.12,其超导转变温度达到64 K.     

High-pressure Raman study of solid hydrogen up to 300 GPa

The high-pressure behavior of solid hydrogen has been investigated by in situ Raman spectroscopy upon compression to 300 GPa at ambient temperature. The hydrogen vibron frequency begins to decrease after it initially increases with pressure up to 38 GPa. This softening behavior suggests the weakening of the intramolecular bond and the increased intermolecular interactions. Above 237 GPa, the vibron frequency softens very rapidly with pressure at a much higher rate than that of phase III, corresponding to transformation from phase III into phase IV. The phase transition sequence has been confirmed from phase I to phase III and then to phase IV at 208 and 237 GPa, respectively. Previous theoretical calculations lead to the proposal of an energetically favorable monoclinic C2/c structure for phase III and orthorhombic Pbcn structure for phase IV. Up to 304 GPa, solid hydrogen is not yet an alkali metal since the sample is still transparent.