Li-N, Li-2N共掺p型ZnO的第一性原理研究

利用密度泛函理论, 计算了本征ZnO, Li-N共掺杂ZnO及Li-2N共掺杂ZnO的电子结构. 计算结果表明, Li-N及Li-2N共掺杂ZnO体系的Fermi能级均不同程度地进入价带顶, 并在Fermi能级附近形成浅的受主能级, 这说明, Li, N原子共掺杂可获得稳定的p型ZnO;与Li-N掺杂ZnO体系相比, Li-2N掺杂ZnO体系进一步提高了体系的载流子浓度, 更有利于获得p型ZnO.     

High thermal stability of diamond-cBN-B_4C-Si composites

Improving the thermal stability of diamond and other superhard materials has great significance in various applications. Here, we report the synthesis and characterization of bulk diamond–cBN–B_4C–Si composites sintered at high pressure and high temperature(HPHT, 5.2 GPa, 1620–1680 K for 3–5 min). The results show that the diamond, cBN, B_4C,B_xSiC, SiO_2 and amorphous carbon or a little surplus Si are present in the sintered samples. The onset oxidation temperature of 1673 K in the as-synthesized sample is much higher than that of diamond, cBN, and B_4C. The high thermal stability is ascribed to the covalent bonds of B–C, C–N, and the solid-solution of B_xSiC formed during the sintering process. The results obtained in this work may be useful in preparing superhard materials with high thermal stability.     

氮化硼薄膜内应力的红外光谱研究

用射频(RF)磁控溅射制备了立方氮化硼(c-BN)薄膜。FTIR光谱和电子衍射实验表明:该薄膜是纯的,其结晶度很高。FTIR光谱研究指出,基板负偏压是c-BN相形成的重要因素,但也由此产生了c-BN薄膜的应力,且负偏压越高,产生的应力越大。比较透射谱和反射谱的结果,c-BN薄膜表面层的应力小于内部的。按照c-BN形成的压力模型,表面应力小到一定程度可能影响c-BN的继续生长。一个特制的分层结构BN薄膜保留了由于应力造成的c-BN的裂纹,这个裂纹分布在一些同心圆上,中心是缺陷或杂质,同心圆之间有明显的分界线,把c-BN表层分割成许多应力区。     

In-Situ Measurement of Electrical Character of PbTe at High Pressure and High Temperature

There is a widespread interest in lead telluride (PbTe) as a good thermoelectric material. We report the temperature dependence of thermopower S(T) and resistance R(T) for PbTe at the different pressures of from 1.8GPa to 5 GPa obtained by using the cubic anvil high pressure apparatus. With increasing pressure, R(T) and S(T) decrease. The effect of pressure on R(T) is larger than that on S(T). The power factor that is determined by thermopower and resistivity increases with increasing pressure. This method is an efficient tool for synthesizing good thermoelectric materials at high pressure and high temperature.     

High-pressure synthesis,characterization, and equation of state of double perovskite Sr2CoFeO6

Double perovskite oxide Sr2Co Fe O6(SCFO)has been obtained using a high-pressure and high-temperature(HPHT)synthesis method.Valence states of Fe and Co and their distributions in SCFO were examined with X-ray photoelectron spectroscopy.The electric transport behavior of SCFO showed a semiconductor behavior that can be well described by Mott’s law for variable-range hopping conduction.The structural stability of SCFO was investigated at pressures up to 31GPa with no pressure-induced phase transition found.Bulk modulus B0was determined to be 163(2)GPa by fitting the pressure–volume data to the Birch–Murnaghan equation of state.     

二硼化钛的高温高压制备及其物性

以化学计量配比的Ti,B元素为原料,在高温高压条件下成功制备出颗粒均匀、致密性大于99％的二硼化钛(TiB2)体材料.物性测试结果表明:TiB2的维氏硬度高达39.6 GPa(接近超硬材料的40 GPa);并呈现出金属导电特性,电阻率在10-8 Ω.m的数量级(接近TiB2单晶样品值).TiB2的高硬度与金属特性,可能与该方法制备的TiB2体材料中均匀的细小晶粒尺寸有关.该方法为制备功能陶瓷材料提供了新的思路.     

碳纳米片-碳纳米管复合材料的一步合成及其场 发射性质研究

利用等离子体化学气相沉积技术, 在引入Ti过渡层后的Co膜表面一步制备出碳纳米片-碳纳米管复合材料, 研究了Co膜厚度对复合材料形貌及场发射性质的影响. 当Co薄膜厚度为11 nm时, 得到了垂直基片定向生长的碳纳米管和碳纳米片复合物, 此时, 碳纳米片分布在碳纳米管的管壁上和管的顶端, 样品的场发射性能最佳.     

高硬度超导三元碳化物的高温高压合成

采用高温高压合成手段,以纯度均在99.8%以上的钼粉、钨粉和石墨粉作为合成原料,在压强5.0GPa、温度2 000K、保温时间60min的条件下成功制备出MoWC_2样品。利用X射线衍射仪、扫描电子显微镜、透射电子显微镜、显微硬度仪、综合物性测量系统和热重-差热分析仪对合成样品进行了物性表征。结果表明:合成的MoWC_2晶体为六角结构,其空间群为P6-m2;晶粒大小为1~4μm,结晶质量良好;MoWC_2的收敛硬度值为15.3GPa;氧化温度为450℃;温度低于6.8K时体现超导电性。MoWC_2的轨道杂化很强,因而具有较高的硬度和抗氧化性。同时,MoWC_2费米面处态密度和德拜温度较高,使其成为一种超导材料。由此可知,MoWC_2是一种兼具超导性、耐热性和较高硬度的硬质超导多功能材料。     

缓慢沉淀法制备ZnS纳米结构

使用两个直径不同的试管按照不同的方向套在一起的方法实现了ZnS 的缓慢沉淀,在两个试管中扩散过来的反应离子的补充下制备核壳结构的ZnS 纳米晶. 利用透射电子显微镜（TEM）,选区电子衍射分析（SAED）对样品的形貌和结构进行分析. 改变反应溶液的浓度和浓度比观察所得到样品形貌的改变,并从Zn2+和S2-两种离子与生成ZnS 单体之间所建立的平衡的角度,应用Ostwald 熟化效应等对样品形貌产生的原因进行了分析.     

Structural stability and electrical properties of AlB2-type MnB2 under high pressure

The structural stability and electrical properties of AlB2-type MnB2 were studied based on high pressure angledispersive x-ray diffraction, in situ electrical resistivity measured in a diamond anvil cell(DAC) and first-principles calculations under high pressure. The x-ray diffraction results show that the structure of AlB2-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 AlB2-type MnB2 is a hard and incompressible material. The electrical resistance undergoes 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.