高压制备Ag_(1-x)Pb_(18)SbTe_(20)及其电学性能的研究

采用高压方法制备了Ag偏离化学计量比的Ag1-xPb18SbTe20(x=0,0.3,0.6)样品,研究了Ag含量及温度对样品电学输运性能的影响。X射线衍射测试结果表明,样品具有单相NaCl结构,晶格常数随Ag含量的减少而变小。电学输运性能测试表明:与常规制备方法相比,高压方法制备的AgPb18SbTe20样品的电导率较高;样品电导率随x的增大而逐渐增大,x=0.6时,室温条件下的样品电导率高达1 598.4S/cm。随着温度的升高,Seebeck系数增大,电导率减小。300℃时,Ag0.4Pb18SbTe20样品的功率因子达到最大值,约为1.97mW/(m·K2)。     

Structural Phase Transition and a Mutation of Electron Mobility in Zn_xCd_(1-x)O Alloys

We investigate the electronic structures and phase stability of ZnO, CdO and the related alloys in rocksalt(B1)and wurzite(B4) crystal, using the first-principle density functional theory within the hybrid functional approximation. By varying the concentration of Zn components from 0% to 100%, we find that the Zn_xCd(1-x)O alloy undergoes a phase transition from octahedron to tetrahedron at x = 0.32, in agreement with the recent experimental findings. The phase transition leads to a mutation of the electron mobility originated from the changes of the effective mass. Our results qualify Zn O/Cd O alloy as an attractive candidate for photo-electrochemical and solar cell power applications.     

CdxZn1-xO：Eu^3＋荧光粉的制备及其发光性质

采用高温固相法在1100℃下合成了Eu3 掺杂的CdxZn1-xO发光材料。采用X射线衍射对所合成样品的结构进行了表征。分析了不同浓度Cd2 的掺杂对于样品发光及激发峰位置的影响。通过对荧光光谱的测试,表明Cd2 的引入使得体系的禁带宽度变窄,并且通过Cd2 掺杂浓度的变化,可以对样品的激发光谱峰值在380～410nm进行调制,样品的发光以520nm处的宽带发射为主,并没有明显的Eu3 的特征发射,表明基质与Eu3 之间的能量传递并不有效。在加入Li 作为电荷补偿剂之后,出现了来自Eu3 的特征发射,相应的发射光谱的发射主峰位于609nm。样品380～410nm的激发峰范围覆盖了紫外LED芯片的输出波长。因此,这种荧光粉是一种可能应用在白光LED上的红色荧光粉材料。     

Structural Stability of CaCuMn6O12 under High Pressure and Low Temperature

In situ high pressure energy-dispersive x-ray synchrotron radiation diffraction and resistance experiments are carried out on CaCuMn6O12. Its crystal structure is stable in the measured pressure range. The equation of state of CaCuMn6O12 is obtained from the V/Vo - P relationship （V and Vo are the volumes at pressure P and at atmosphere）. The bulk modulus Bo is calculated based on the Birch-Murnaghan equation. Low temperature x-ray diffraction shows no phase transition occurring down to 160K.     

Zn_（1－x）Mg_xS_ySe_（1－y）四元半导体合金的拉曼散射光谱研究

用分子束外延方法在ＧａＡｓ（１００）衬底上生长了Ｚｎ１－ｘＭｇｘＳｙＳｅ１－ｙ四元半导体合金薄膜．用Ｘ－射线衍射方法确定了外延层的结构和晶格常数．测量了这些样品在平行和垂直两种不同几何配置下的拉曼散射光谱并对其特性做了研究。从实验上观察到了四类不同的晶格振动模：类ＺｎＳｅ的ＴＯ和ＬＯ模以及类ＺｎＳ和类ＭｇＳ的ＬＯ模，实验发现：在ＺｎＳｅ和ＺｎＳＳｅ中加入Ｍｇ使得类ＺｎＳｅ的ＴＯ和ＬＯ模的振动频率下降；同时，也使类ＺｎＳ模的频率随Ｓ的增加率减小。     

Structural properties of Pb2MnW(1-x)Re(x)O6 double perovskites

Pb2MnW(1-x)Re(x)O6 samples have been synthesized and their structure determined by powder x-ray diffraction. These samples undergo a first order structural phase transition between 413 and 445 K depending on the composition. Above this temperature, the samples are cubic. Below the transition temperature, solid solutions are found for x ≤ 0.2 and x ≥ 0.5. The W-rich samples adopt an orthorhombic cell whereas the Re-rich compounds are monoclinic. In the intermediate region, 0.2 < x < 0.5, both phases coexist. X-ray absorption spectra did not reveal significant changes in the local structure for Pb, Mn or Re atoms across the structural phase transition. All the atoms exhibit distorted environments in the whole series. In the case of Pb and W(Re) atoms, the local distortion remains in the high temperature phase. Samples with x ≤ 0.2 also show a sharp discontinuity in the dielectric permittivity at the phase transition temperature indicating the presence of a concomitant electrical ordering in the bulk grains. Such an anomaly in the dielectric constant is not observed for the x ≥ 0.5 samples, compatible with the lack of dipole ordering for this composition range. The different electrical behaviours also explain the differences in the entropy content for the two types of transition.     

Zn1-xCdx S合金薄膜的结构和光学性质

采用低压金属有机化学气相沉积(LP-MOCVD)技术,在普通石英衬底上制备出不同Cd组分(0．02,0．44,0．59,0．83,0．91)的Zn1-xCdxS合金薄膜材料。X射线测量表明样品为单一取向的纤锌矿结构,并且随着x的增加衍射峰位基本成线性地从ZnS衍射峰向CdS衍射峰移动。此外,在PL谱中还可以看出随着样品中Cd含量的增加,发光峰从3．66eV红移到2．43eV。根据发光峰位与Zn1-xCdxS中x的变化关系,推导出它们之间的关系近似为Eg(Zn1-xCdxS)=3．61-1．56x 0．38x^2。还探讨了不同Cd组分薄膜材料的X射线衍射峰半峰全宽以及发光峰半峰全宽的变化。     

MgxZn1-xO粉体的制备及性能表征

MgxZn1-xO材料是一种新型的光电功能材料,近年来受到人们的广泛关注.文章采用Sol-Gel法制备了MgxZn1-xO粉体,研究Mg含量对MgxZn1-xO结构和发光性能的影响,结果表明在x从0到1的整个区间中MgxZn1-xO样品存在六方纤锌矿与面心立方两种结构,当x＜0.2时为六方纤锌矿结构,x＞0.8时为面心立方结构,在两者之间为其混合结构;光谱分析表明不同组分的MgxZn1-xO样品均具有紫外和可见发射特性,紫外发射峰位于370～384 nm,可见发射峰位于468 nm附近;粉体的平均粒径在100 nm左右.     

Electrical and Thermal Properties of NH4BrxCI1-x Single Crystal

The effect of partial replacement of Cl^? ions by Br^? ions in the mixed system of ammonium chloride and ammonium bromide during a set of thermal heating cycles is studied. The study includes electrical measurements (d.c. resistivity, dielectric constant and the spontaneous thermal current), differential thermal analysis (DTA) and dilatometric thermal analysis in the temperature range ?60 °C up to 30°C. The results show a large change in the various measured parameters sensitive to thermal agitation process and to the presence of the bromine ions in the mixed crystal system close to the morphotropic boundary x = 0.5. At this boundary the temperature region of the ordered phase extended by about 28°C. The transformation enthalpy was reduced in such case to 41.3 cal/mol. According to the different experimental data of the system NH₄Br_xCl_1-x, a phase diagram was proposed. This phase diagram predicted that the order-disorder phase transition point changed widely according to the value of x and reached ?2°C when the mixed crystal system contained 50% of Br^? ions.     

GaN1-xPx三元合金的光学与结构特性

对采用金属有机化学气相淀积(MOCVD)技术生长的GaN1-xPx三元合金进行了低温光致发光(PL)和X射线衍射(XRD)测试分析,与来自GaN层的带边发射相比,P的摩尔分数比为0．03,0．11和0．15的GaN1-xPx的光致发光峰分别呈现出了73meV,78meV和100meV的红移,文中将这种红移归因于GaN1-xPx合金具有大的带隙能量弯曲系数。X射线衍射结果表明GaN1-xPx三元合金仍为六方结构晶体,且随着P组份比的增加,GaN1-xPx合金的(0002)衍射峰逐渐向小角度方向移动,即晶格常量变大,同时,(0002)衍射峰谱线不断宽化,说明由于替位式P原子的不规则分布以及部分间隙P原子的影响造成了GaN1-xPx样品的晶格畸变。在GaN1-xPx的光致发光谱及X射线衍射谱中均未观测到相应的有关GaP的峰,表明所生长的高P含量的GaN1-xPx三元合金没有产生明显的相分离。     

Microstructures and Mechanical Properties of AlCrFeNiMo_(0.5)Ti_x High Entropy Alloys

Effects of Ti addition on the microstructures and mechanical properties of AlCrFeNiMo_(0.5) Ti_x(X = 0, 0.25, 0.4,0.5, 0.6, 0.75) high entropy alloys(HEAs) are investigated. All these HEAs of various Ti contents possess dual BCC structures, indicating that Ti addition does not induce the formation of any new phase in these alloys. As Ti addition X varies from 0 to 0.75, the Vickers hardness(HV) of the alloy system increases from 623.7 HV to766.2 HV, whereas the compressive yield stress firstly increases and then decreases with increasing X above 0.5.Meanwhile, the compressive ductility of the alloy system decreases with Ti addition. The AlCrFeNiMo_(0.5)Ti_(0.6) and AlCrFeNiMo_(0.5)Ti_(0.75) HEAs become brittle and fracture with very limited plasticity. In the AlCrFeNiMo_(0.5)Ti_x HEAs, the AlCrFeNiMo_(0.5) HEA possesses the highest compressive fracture strength of 4027 MPa and the largest compressive plastic strain of 27.9%, while the AlCrFeNiMo_(0.5)Ti_(0.5) HEA has the highest compressive yield strength of 2229 MPa and a compressive plastic strain of 10.1%. The combination of high strength and large plasticity of the AlCrFeNiMo_(0.5) Ti_x(X = 0, 0.25, 0.4, 0.5) HEAs demonstrates that this alloy system is very promising for engineering applications.     

LaB_6 Work Function and Structural Stability under High Pressure

The work functions of the(110) and(100) surfaces of LaB_6 are determined from ambient pressure to 39.1 GPa.The work function of the(110) surface slowly decreases but that of the(100) surface remains at a relatively constant value. To determine the reason for this difference, the electron density distribution(EDD) is determined from high-pressure single-crystal x-ray diffraction data by the maximum entropy method. The EDD results show that the chemical bond properties in LaB_6 play a key role. The structural stability of LaB6 under high pressure is also investigated by single-crystal x-ray diffraction. In this study, no structural or electronic phase transition is observed from ambient pressure to 39.1 GPa.     

Phase Transition Behavior of LiCr 0.35 Mn0.65O2 under High Pressure by Electrical Conductivity Measurement

The electrical conductivity of powdered LiCr 0.35 Mn0.65O2 is measured under high pressure up to 26.22 GPa in the temperature range 300-413 K by using a diamond anvil cell. It is found that both conductivity and activation enthalpy change discontinuously at 5.36 GPa and 21.66 GPa. In the pressure range 1.10-5.36 GPa, pressure increases the activation enthalpy and reduces the carrier scattering, which finally leads to the conductivity increase. In the pressure ranges 6.32-21.66 GPa and 22.60-26.22 GPa, the activation enthalpy decreases with pressure increasing, which has a positive contribution to electrical conductivity increase. Two pressure-induced structural phase transitions are found by in-situ x-ray diffraction under high pressure, which results in the discontinuous changes of conductivity and activation enthalpy.     

Electrical conductivity of (Ag2S)x-(GeS2)1-x glasses

We clearly demonstrate, on the basis of experimental measurements of the electrical conductivity of (Ag₂S) _x -(GeS₂)_1-x glasses, that the power-law behaviour of the polarization ac conductivity, _ac=A ^s , can be used. The exponents, in this case, should be considered as a function of temperature and frequency. Moreover, the parameters depends on details of the structure, i.e., the nature of disorder.     

Structural Stability and Elastic Properties of Wurtzite TIN under Hydrostatic Pressure

The structural stability and elastic properties of wurtzite thallium nitride （TIN） under hydrostatic pressure are studied for the first time by first-principles calculations. The enthalpy calculations predict that TIN undergoes a phase transition from the wurtzite structure to the rocksalt structure at 19.2 GPa with a volume collapse of 13.0%. Our calculated results also show that this nitride is ductile in nature and exhibits high elastic anisotropy. Our ground-state results are in good agreement with the data of other theoretical calculations.     

Studies on the SFD Properties of Nd_xGd_(1-x)Ca_4O(BO_3)_3 Solid-solution Crystal

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Ti_(1-x)Fe_xO_2纳米粉末的制备及性质研究

采用溶胶-凝胶法制备Ti1-xFexO2胶体,然后放入高压反应釜中进行热处理,得到了一组Ti1-xFexO2纳米粉末样品。利用X射线衍射仪(XRD)和拉曼光谱(Raman)对样品的结构进行表征。利用振动样品磁强计(VSM)对样品的磁性进行研究。利用紫外-可见光谱(UV-Vis)以罗丹明B溶液为目标降解物,考察了样品的光催化性能。研究发现,不同掺杂浓度的Ti1-xFexO2样品均为锐钛矿结构。Fe掺杂的样品表现出室温铁磁性,并且铁磁性来源于半导体本征磁性而不是来源于第二相。当掺杂浓度从0.0%增加到0.2%时,光催化活性增强。当掺杂浓度从0.2%增加到0.8%时,光催化活性下降。掺杂浓度为0.2%时光催化活性最好。