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Strontium titanate(SrTiO_3) is a promising n-type material for thermoelectric applications. However, its relatively high thermal conductivity limits its performance in efficiently converting heat into electrical power through thermoelectric effect.This work shows that the thermal conductivity of SrTiO_3 can be effectively reduced by annealing treatments, through an integrated study of laser flash measurement, scanning electron microscopy, Fourier transform infrared spectroscopy, x-ray absorption fine structure, and first-principles calculations. A phonon scattering model is proposed to explain the reduction of thermal conductivity after annealing. This work suggests a promising means to characterize and optimize the material for thermoelectric applications.  相似文献   
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Undoped ZnO and doped ZnO films were deposited on the MgO(111) substrates using oxygen plasma-assisted molecular beam expitaxy. The orientations of the grown ZnO thin film were investigated by in situ reflection high-energy electron diffraction and ex situ x-ray diffraction(XRD). The film roughness was measured by atomic force microscopy, which was correlated with the grain sizes determined by XRD. Synchrotron-based x-ray absorption spectroscopy was performed to study the doping effect on the electronic properties of the ZnO films, compared with density functional theory calculations.It is found that, nitrogen doping would hinder the growth of thin film, and generate the NOdefect, while magnesium doping promotes the quality of nitrogen-doped ZnO films, inhibiting(N_2)Oproduction and increasing nitrogen content.  相似文献   
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采用基于原子球近似下线性Mufin-Tin轨道(LMTO-ASA)的平均键能计算方法,研究了以ZnSxSe1-x为衬底,沿(001)方向外延生长的应变层异质结ZnS/ZnSe、ZnS/ZnSxSe1-x和ZnSe/ZnSxSe1-x的价带带阶值ΔEv(x).研究表明,ΔEv(x)值随衬底合金组分x单调变化.且两者的关系是非线性的.在此计算结果与其它理论计算和实验结果符合较好.  相似文献   
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谐振势阱中有弱相互作用的玻色爱因斯坦凝聚   总被引:5,自引:0,他引:5  
郑金成  严子浚 《计算物理》1997,14(4):690-692
应用数值计算的方法计算了谐振势阱中有弱相互作用的玻色气体凝聚的临界温度和基态占据库,计算结果表明,二者都随着散射长度的增大而减小;但与理想玻色气体相比仅差约0.4%。  相似文献   
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