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Chinese Physics Letters 2007年第4期24卷 1050-1053页

作者：乔彦彬钟国华李地王江龙秦晓英曾雉 Key Laboratory of Materials Physics Institute of Solid State Physics Chinese Academy of Sciences Hefei 230031

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.

关键词： TRANSITION-METAL DICHALCOGENIDES ANGLE-RESOLVED PHOTOEMISSION SOLID-SOLUTIONS TIXTA1-XS2 X-RAY-ABSORPTION ELECTRONIC-STRUCTURE BAND-STRUCTURE SEMIMETALTRANSITION transport-properties OPTICAL-properties GROUP-IVA

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Metal-Insulator Transition in Ca-Doped Sr14-xCaxCu24O41 Systems Probed by Thermopower Measurements

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Chinese Physics Letters 2008年第5期25卷 1857-1860页

作者：王清波徐象繁陶前王洪涛许祝安 Department of Physics Zhejiang University Hangzhou 310027 Department of Physics and Information Science Wenzhou University Wenzhou 325027

High quality Sr14-xCaxCu24O41 single-crystals are successfully grown by floating-zone technique, and the trans- port properties are studied. The temperature dependence of resistivity along the c-axis direction is semiconductor- like for x ≤ 10 and it can be fitted by the thermal activation equation p = po exp（ △ /kBT） with kB being the Boltzmann constant and A the activation energy. A break in the slope of thermopower （S） versus the inverse temperature （1 IT） corresponding to the formation of charge-density waves （CD W） is first observed for x ≤ 6. The temperature dependence of thermopower becomes metallic for x ≥ 8 while the resistivity is still semiconductorlike. We propose that the insulation behaviour of the resistivity in the Ca doping range 8 ≤ x ≤ 11 could result from the localization of the charge carriers due to the disorder induced by Ca doping and a revised electronic phase diagram is derived based on our observations.

关键词： transport-properties SINGLE-CRYSTALS SPIN GAP LADDERS SUPERCONDUCTIVITY SR14CU24O41 STATE A=BA

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Simulation of Confined and Interface Phonons Scattering in Terahertz Quantum Cascade Laser

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Chinese Physics Letters 2005年第12期22卷 3163-3165页

作者：何晓勇曹俊诚吕京涛封松林 State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information Technology Chinese Academy of Sciences Shanghai 200050

We have performed the calculation of resonant-phonon transition in a terahertz quantum cascade laser. The electron wavefunctions and energy levels are obtained by solving the Schroedinger and Poisson equations selfconsistently. The scattering rates of the confined, interface, and bulk phonons are calculated by using the Fermi golden rule. It has been shown that the confined phonon scattering is comparable to the interface phonon scattering and should be taken into consideration in the calculation.

关键词： CONTINUOUS-WAVE OPERATION INTERSUBBAND TRANSITIONS transport-properties HETEROSTRUCTURES SINGLE WELLS TEMPERATURE MODES

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