石墨-六角氮化硼微晶混合物与水高压反应产物分析

 利用球磨法制备石墨-六角氮化硼微晶混合物，并在6.1 GPa、800~1 500 ℃条件下与水进行高压反应，以便研究用水作触媒合成B-C-N三元化合物的可能性。通过对反应产物的XRD、XPS谱分析发现：高压下随着温度的升高，反应产物中出现再结晶石墨，其晶化程度逐渐提高；但没有出现再结晶六角氮化硼，也未出现立方氮化硼。在球磨不充分条件下，石墨-六角氮化硼混合物的XRD谱没有完全弥散，它们与水高压反应时，能观察到石墨与立方氮化硼分别结晶的现象，但都没有形成B-C-N晶化结构。     

Ruby fluorescence pressure scale： Revisited

Effect of non-hydrostatic stress on X-ray diffraction in a diamond anvil cell (DAC) is studied. The pressure gradient in the sample chamber leads to the broadening of the diffraction peaks, which increase with the hkl index of the crystal. It is found that the difference between the determined d-spacing compressive ratio d/d0 and the real d-spacing compressive ratio dr/d0 is determined by the yield stress of the pressure transmitting media (if used) and the shear modulus of the sample. On the basis of the corrected experiment data of Mao et al. (MXB86), which was used to calibrate the most widely used ruby fluorescence scale, a new relationship of ruby fluorescence pressure scale is corrected, i.e., P = (1904/9.827)[(1+λ/λ0)9.827-1].     

Evidence of polymorphic transformations of Sn under high pressure

The high-pressure polymorphs and structural transformation of Sn were experimentally investigated using angledispersive synchrotron x-ray diffraction up to 108.9 GPa. The results show that at least at 12.8 GPa β-Sn→bct structure transformation was completed and no two-phase coexistence was found. By using a long-wavelength x-ray, we resolved the diffraction peaks splitting and discovered the formation of a new distorted orthorhombic structure bco from the bct structure at 31.8 GPa. The variation of the lattice parameters and their ratios with pressure further validate the observation of the bco polymorph. The bcc structure appears at 40.9 GPa and coexists with the bco phase throughout a wide pressure range of40.9 GPa–73.1 GPa. Above 73.1 GPa, only the bcc polymorph is observed. The systematically experimental investigation confirms the phase transition sequence of Sn as β-Sn→bct→bco→ bco + bcc→bcc upon compression to 108.9 GPa at room temperature.     

冲击压缩下金属的电导率测量

 探索了一种在兆巴压力冲击压缩下测量金属电导率的新方法——四电极垂向引线法，并用刻槽单晶蓝宝石作绝缘腔体，以消除分流效应对测量结果的影响。用二级轻气炮作为加载手段，测量了铁在终态平衡压力为101～208 GPa压力区间内的电导率（电导率从1.45×10⁶ S/m变化到7.65×10⁵ S/m）。将测量铁电导率的压力范围扩展到了200 GPa以上。实验结果表明，关于金属电导率的Bloch-Grüneisen公式在高达200 GPa冲击压力下仍然有效（对于ε-铁）。     

Equation of State of Tantalum up to 133GPa

The static equation of state （EOS） of tantalum （Ta） is determined by in situ energy-dispersive synchrotron powder x-ray diffraction in a diamond anvil cell （DAC） up to 133GPa. The body-centered-cubic （bcc） phase of Ta is found to be stable over the entire pressure range investigated. The bulk moduli and its first pressure derivative of Ta are constrained by fitting the determined pressure-volume data to Vinet form EOS： B0 =192.65±（3.08）GPa and B＇0 =3.58±（0.11）. For the sake of avoiding the affect of non-hydrostatic stress, argon is used as a pressure media. A careful checking of the stress state of the sample is presented simultaneously.     

高压下铁的电导率及X射线衍射研究

 用四点电极法及磁控溅射结合光刻集成电极的方法，测量了铁在25 GPa压力下的电阻随压力的变化；用微区X射线衍射仪原位测量了铁在25 GPa压力下晶胞参数随压力的变化关系。实验结果表明，铁在13.7 GPa时发生相变，由体心立方相转变为六方密堆相，在18.1 GPa时相变结束。利用高压下铁的电阻数据，结合X射线衍射结果，推导出铁的电导率随压力的变化关系。     

用于X射线衍射测量的静高压装置及发展趋势

侧重介绍了国外静高压装置的发展和在各种装置上进行X射线衍射测量的方法，以及用各种X射线衍射装置测量材料物性参数的优缺点。各种装置中，X光源由普通的X射线管，单色X光源发展到同步辐射光源，而光子能量从数十keV到几GeV；高压下材料物性的X射线衍射测量经历了底片记录，光子计数器到自动化的原位光强测量的发展过程，测量时间从几减少到几分钟。这些实验装置和测量技术可以实现从1GPa到数百GPa压力范围，并适合于各种材料的高温高压物性和状态方程研究，它们在材料科学，地球科学等研究领域中有广阔的应用前景。     

SrB_4O_7掺杂二价镧系离子的荧光光谱特性研究

采用高温固相法通过掺杂不同种类的镧系元素以及改变掺杂元素的浓度制备了系列SrB_4O_7∶Re~(2+)(Re代表Ce,Nd,Gd和Lu)荧光材料,利用实验室自建的非偏振显微共聚焦荧光/拉曼测量系统重点研究了其荧光光谱特性。研究发现,SrB_4O_7∶Re~(2+)和SrB_4O_7∶Sm~(2+)具有相似的荧光特性,最强单峰对应~5 D_0-~7 F_0电子跃迁所产生的荧光峰(0-0峰),峰位为685.41nm;在700和730nm附近还对应有~5 D_0-~7 F_1和~5 D_0-~7 F_2电子跃迁所产生的两条强度较弱的荧光带;在相同条件下,SrB_4O_7∶Re~(2+)的0-0峰强度较SrB_4O_7∶Sm~(2+)的0-0峰强度至少要弱一个量级。对SrB_4O_7∶Re~(2+)荧光光谱分析结果显示,掺杂元素种类和掺杂元素浓度是影响荧光光谱强度的关键因素,两者直接决定了能参与发光的Re~(2+)离子的总量。     

Implementation of LDA+DMFT with the pseudo-potential-plane-wave method

We propose an efficient implementation of combining dynamical mean field theory(DMFT) with electronic structural calculation based on the local density approximation(LDA).The pseudo-potential-plane-wave method is used in the LDA part,which enables it to be applied to large systems.The full loop self consistency of the charge density has been reached in our implementation,which allows us to compute the total energy related properties.The procedure of LDA+DMFT is introduced in detail with a complete flow chart.We have also applied our code to study the electronic structure of several typical strong correlated materials,including cerium,americium and NiO.Our results fit quite well with both the experimental data and previous studies.     

静水压加载单晶MgO的超声测量与压力标定

通过对单晶MgO的高压声速测量,结合高压Brillouin散射数据,对静水压加载条件下六面顶压机高压腔中的压力进行了多点系统标定(系统油压从15 MPa到51 MPa,间隔2 MPa),建立了新的大腔体压机超声测量和压力标定技术。相比传统的仅采用2~3个标定压力点的方法,该技术在统计上更加可靠。结合LY12铝的高压声速测量,进一步验证了该压力标定方法的合理性。与固体传压组装相比,固液混合传压组装在相同油压下的压力值系统偏低,分析认为这主要是由于固体传压介质中的剪切效应导致标定压力值系统偏高造成的。