Strongly Correlated Effect in TiS2

The thermoelectric compound TiS2 is studied by using the full-potential linearized augmented plane-wave method on the density functional theory with the generalized gradient approximation （GGA） as well as the on-site Coulomb interaction correction （＋U）. The Seebeck coefficient of TiS2 is calculated based on the electronic structure obtained within the GGA under the consideration of the on-site Coulomb interaction. The calculated Seebeck coefficient at 300K shows that Coulomb interaction U in the range of 4.97-5.42eV is important to reproduce the experimental data. The obtained energy gap Eg around 0.05 eV indicates that TiS2 is an indirect narrow-gap semiconductor.     

新奇纳米结构SiO_x的自组织生长及其发光

采用化学气相沉积法,以纳米Mg2Si和SiO2的混合粉体作为硅源,在较低温度自组织生长了大量绳状SiOx新奇纳米结构。利用扫描电子显微镜、透射电子显微镜等手段对纳米结构进行了系统表征,并在室温观测到了光致发光,其发光峰峰位在560nm附近,在此基础上对该纳米结构的生长机理进行了深入的讨论。     

纳米CaF2和纳米Ca0.75La0.25F2.25的结构对离子电导率的影响

用惰性气体蒸发和真空原位加压方法制备了两种具有清洁界面的纳米离子固体CaF₂(平均粒度为16nm)和Ca_0.75La_0.25F_2.25(平均粒度为11nm),在31℃至530℃详细测量了其复阻抗谱。结果表明:1)在300—530℃两种纳米离子导体都很好地遵从Arrhenius方程式;2)纳米CaF₂的离子电导率比多晶CaF₂约高1个数量级、比单晶CaF₂     

THE THERMAL DIFFUSIVITIES OF NANOSTRUCTURED NiAl ALLOYS MEASURED BY USING PHOTOACOUSTIC TECHNIQUE

The thermal diffusivities of nanostructured NiAl (n-NiAl) alloys wit h different relative densities and the polycrystalline NiAl alloy are measured by using photoacoustic technique in which the signal is detected at the front surface while the rear-surface is excited. It is shown that the values of thermal diffusivity of the nanostructured NiAl alloy are lower than that of the polycry stalline NiAl alloy. The thermal diffusivities of n-NiAl alloys decrease with t he decrease of their relative densities when they are over 70%. When the relativ e density of n-NiAl alloys is lower than 70%, an anomalous increase of thermal diffusivity is observed, which indicates there exists a critical excess volume ΔV_c (or critical relative density) in n-NiAl alloys near 70%. Th e results are discussed.     

尿素夹层二硫化钛化合物的合成及其热、电输运性质研究(英文)

我们成功的制备出了含不同成分尿素的夹层化合物(NH2CONH2)xTiS2,并研究了它们在低温(5～310K)下的热、电输运性质.夹层后晶格常数、热、电输运行为的变化也证实了尿素分子成功的夹层到TiS2的范德华尔斯层间.研究结果表明:尿素分子的夹层成功的降低了材料的热导率,特别是在浓度为12.5mmol/L尿素的苯溶液中合成的样品的热导率大约1.5Wm-1 K-1(仅为纯TiS2的50%),而且尿素分子的夹层使得材料在低温下的导电行为从金属性转变为半导体性.     

Structural phase transition behaviour of ZnaSb3 and its substitutional compounds （Zn0.98M0.02）4Sb3 （M = Al,Ga and In） at low temperatures

Structural phase transitions of Zn4Sb3 and its substitutional compounds (Zn0.98M0.02)4Sb3 (M = Al, Ga and In) are investigated by electrical transport measurement and differential scanning calorimetry below room temperature. The results indicate that both β→α and α→α′ phase transitions of Zn4Sb3 are reversible and exothermic processes, which may be explained as that both the transitions originate from the ordering of the disordered interstitial Zn and vacancies in regular sizes. The derived activation energies of β→α and α→α′ phase transition processes for Zn4Sb3 are E1 = 3.9 eV and E2 = 4.1 eV, respectively. Although no remarkable influence on activation energy E2 is observed after Al doping, Al substitution for Zn causes E1 to increase to 4.6 eV, implying its suppression of βα transition to a great extent. Moreover, it is found that both βα and αα′ transitions are completely prohibited by substitution of either In or Ga for Zn in Zn4Sb3. The underlying mechanisms for these phenomena are discussed.     

纳米银在低温下电阻率的研究

本文详细报道了对系列纳米银样品在低温下电阻率的测量结果，并把结果与在同一实验装置下测量多晶银的测量结果进行了比较。     

纳米固体Ag在高温下的热膨胀行为

在室温至217℃的温度范围内对纳米固体Ag的热膨胀行为进行了实验研究.结果表明:制备态的纳米Ag(平均粒度25nm)的膨胀在温度低于100℃时主要是真实热(由原子的非简诣热振动引起的)膨胀,高于100℃时,出现与热焓释放过程相关的不可逆膨胀,随温度的升高此不可逆膨胀的贡献逐渐增大.经(以5K·min~(-1)升温至217℃)退大处理后的纳米Ag(平均粒度28nm)在实验温度范围(50关键词：     

纳米NiAl合金的输运性质与电子局域化

测量了不同相对密度的纳米ＮｉＡｌ合金在４．２－７７Ｋ温度范围的电阻率和部分磁阻。实验发现纳米ＮｉＡｌ合金的电阻温度系数随相对密度的减小由正变到负，在相对密度７０％的样品中出现电阻极小。分析绌人有负温度系数的样品的导电是变程跃导电。结果表明材料纳米化后电阻率的变化不仅反映了界面体系增大而导致电阻率增大，而且也反映了纳米化后传导电子局域化，以及磁散射对纳米ＮｉＡｌ合金输运性质的影响。     

Anisotropic properties of TaS2

The anisotropic properties of 1T- and 2H-TaS2 axe investigated by the density functional theory within the framework of full-potential linearized augmented plane wave method. The band structures of 1T- and 2H-TaS2 exhibit anisotropic properties and the calculated electronic specific-heat coefficient γ of 2H-TaS2 accords well with the existing experimental value. The anisotropic frequency-dependent dielectric functions including the effect of the Drude term are analysed, where the ε^xx（ω） spectra corresponding to the electric field E perpendicular to the z axis show excellent agreement with the measured results except for the ε1^xx（ω） of 1T-TaS2 below the energy level of 2.6 eV which is due to the lack of the enough CDW information for reference in our calculation. Furthermore, based on the values of optical effective mass ratio P of 1T and 2H phases it is found that the anisotropy in 2H-TaS2 is stronger than that in 1T-TaS2.