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 selfcon...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.展开更多
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-sit...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.展开更多
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 semi...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.展开更多
基金Supported by the National Fund for Distinguished Young Scholars of China （60425415）, the Major Project of the National Science Foundation of China （10390162）, and the Shanghai Municipal Commission of Science and Technology （03JC14082）.
文摘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.
基金Supported by the National Science Foundation of China under Grant Nos 10504036 and 50472097, the Special Funds for Major State Basic Research Project of China under Grant No 2005CB623603, the Knowledge Innovation Programme of Chinese Academy of Sciences, and Director Grants of Hefei Institutes of Physical Sciences.
文摘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.
基金Supported by the National Basic Research Programme of China under Grant No 2007CB925001, and the Natural Science Foundation of Zhejiang Province under Grant No Y605106.
文摘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.
