Zou Guangtian

Theoretical Prediction for Structural Stabilities and Optical Properties of SrS, SrSe and SrTe under High Pressure

An investigation on the structural stabilities and electronic properties of SrX (X = S, Se and Te) under high pressure is conducted using the first-principles calculation based on density functional theory (DFT) with the plane wave basis set as implemented in the CASTEP code. Our results demonstrate that the sequence of the pressure-induced phase transition of the three compounds is the NaCl-type (B1) structure (Fm3m) to the CsCl-type (B2) structure (Pm3m). The phase transition and the metallization pressures are determined theoretically. The pressure effect on the optical properties is discussed. The results are compared with the previous calculations and experimental data.

High-pressure Raman studies of graphite and ferric chloride-graphite

The pressure dependences of the Raman-active graphite layer shearing modes in highly oriented pyrolytic graphite (HOPG) and FeCl3-HOPG acceptor intercalation compounds for stage indices n=1, 2 and 3 have been measured in diamond anvil cell by use of a Spex-1403 Ramalog system. The results of high-pressure Raman spectra show that both the interior and neighbouring modes exhibit a frequency shift upwards with increasing pressure, which has been attributed to an in-plane lattice contraction. In stage-3 FeCl3-HOPG, the pressure-induced staging transition from stage 3 to stage 4 has been found from the change in intensity ratio of the interior to neighbouring modes at 8.39 GPa. This finding confirmed firstly that the pressure-induced staging transitions are not just confined to the alkali-metal graphite donor intercalations but are valid for the acceptor graphite intercalation compounds.

Structural Transition of Gd2O3:Eu Induced by High Pressure

The structural transition of bulk and nano-size Gd2O3:Eu are studied by high pressure energy disperse x-ray diffraction (XRD) and high pressure photoluminescence. Our results show that in spite of different size of Gd2O3 particles, the cubic structure turns into a possible hexagonal one above 13.4 GPa. When the pressure is released, the sample reverses to the monoclinic structure. No cubic structure presents in the released samples. That is to say, the compression and relaxation of the sample leads to the cubic Gd2O3:Eu then turns into the monoclinic one.

A New Method for Preparation of Nanocrystalline Molybdenum Nitride

Nanocrystalline molybdenum nitride (γ-Mo2N) with the cubic structure is prepared by the direct-current arc discharge method in N2 gas, using metal Mo or W rod as a cathode. The x-ray diffraction (XRD) and transmission electron microscopy (TEM) are used to characterize the product. It is found that the conversion of Mo to γ-Mo2N and affinity of Mo to N2 are determined by the nitrogen pressure. Moreover, we compare the effect of Mo and W rod as a cathode for preparing γ-Mo2N. The average size of γ-Mo2N particles is about 5 nm. The rapid quenching mechanism can be used to explain the formation of nanocrystalline γ-Mo2N.

Effects of High Pressure on BC3

High-pressure phases of BC3 are studied within the local density approximation under the density functional theory framework. When the pressure reaches 20 GPa, the layered BC3 that is a semiconductor at ambient pressure, becomes metallic. As the pressure increases, the material changes into a network structure at about 35 GPa. To understand the mechanism of phase transitions, band structure and density of states are discussed. With the increase of pressure, the width of bands broadens and the dispersion of bands enlarges. Additionally, the density of states of the network bears great resemblance to that of diamond. Formation of the sp3 bonding in the network is the main reason for the structural transformation at 35 GPa.

Synthesizing of ZnO Micro/Nanostructures at Low Temperature with New Reducing Agents

Instead of the conventional graphite, new additional reducing agents (diamond, silicon, metal elements, etc.) have been mixed with zinc oxide (ZnO) powder to fabricate ZnO micro/nanostructures by a thermal vapour transport method. Due to the strong reducibility for those additions, the corresponding heating temperature is decreased by 100-500° C compared to the case of graphite, which subsequently decreases the corresponding growth temperature for the products. Being placed separately for the powder sources of ZnO and addition, a vapour-vapour reduction-oxidation reaction mechanism between the sources is proposed as an important channel to fabricate ZnO. Photoluminescence and magnetic examinations indicate that the ZnO products synthesized have strong ultraviolet (visible) emissions and are room-temperature ferromagnetic, meaning that the products are available for applications.

High-Rate Growth and Nitrogen Distribution in Homoepitaxial Chemical Vapour Deposited Single-crystal Diamond

High rate (> 50 μm/h) growth of homoepitaxial single-crystal diamond (SCD) is carried out by microwave plasma chemical vapour deposition (MPCVD) with added nitrogen in the reactant gases of methane and hydrogen, using a polycrystalline-CVD-diamond-film-made seed holder. Photoluminescence results indicate that the nitrogen concentration is spatially inhomogeneous in a large scale, either on the top surface or in the bulk of those as-grown SCDs. The presence of N-distribution is attributed to the facts: (i) a difference in N-incorporation efficiency and (ii) N-diffusion, resulting from the local growth temperatures changed during the high-rate deposition process. In addition, the formed nitrogen-vacancy centres play a crucial role in N-diffusion through the growing crystal. Based on the N-distribution observed in the as-grown crystals, we propose a simple method to distinguish natural diamonds and man-made CVD SCDs. Finally, the disappearance of void defect on the top surface of SCDs is discussed to be related to a filling-in mechanism.

High Thermoelectric Properties of PbTe Doped with Bi2Te3 and Sb2Te3

The composition-dependent thermoelectric properties of lead telluride (PbTe) doped with bismuth telluride (Bi2Te3), antimony telluride (Sb2Te3) and (BiSb)2Te3 have been studied at room temperature. All the samples exhibit small thermal conductivity. The figures of merit, 7.63, 1.03 and 8.97×10−4, have been obtained in PbTe with these dopants, respectively. These values are several times higher than those of PbTe containing other dopants with small grain sizes. The high thermoelectric performance is explained by electronic topological transition induced by alloying. The results indicate that these dopants are effective to enhance the thermoelectric performance of PbTe.

Pressure effect on emission spectra and crystal field for La OBr : Eu

Abstract The emission spectra for LaOBr : Eu were measured at pressures up to 13 GPa and room temperature. The pressure dependences of levels of 7F0,1,2,3,4 and 5D0,1,2 are given. The crystal field parameters Bk q were computed by fitting the experimental levels. The strength of crystal field decreases with increasing pressure. A brief discussion on the observed phenomena is presented.

Crystal field analysis for emission spectra of LaOCl:Eu3+ under high pressure

Abstract The effects of pressure on the emission spectra of Eu 3+ activated LaOCl:Eu 3+ were measured at room temperature up to 136 kbar. At various pressures between 0 and 136 kbar, the crystal field parameters have been determined via the intermediate coupling wavefunction and J -mixing, which reproduced the experimental 7 F j Stark energy level scheme within a mean square deviation of a few cm −1 . The pressure dependence of the spin-orbit interaction and intensity ratio are also discussed.