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国家自然科学基金(11047108)

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La_2CuBiS_5化合物的电子结构和热电特性研究(英文)
2017年
本文采用第一性原理和半经典玻尔兹曼理论相结合的方法研究了La_2CuBiS_5的基本性质.电荷差分密度图显示电子积聚在Bi-S原子之间,这意味着Bi和S之间成共价键.Cu和S之间的电荷差分密度与Bi-S的相似,表明Cu-S之间成共价键.计算表明La_2CuBiS_5的最小热导率非常小,这有利于材料的热电特性.受热激发引起的双极化效应的影响,材料的塞贝克系数在T=800 K时明显下降,n型和p型掺杂对应的最大S^2σ/τ值分别是-1.71×10^(11)和1.837×10^(11)WK^(-2)ms^(-1).沿Γ-Y方向上能带的大的弥散性和较高简并度有利于S_y和σ/τ_y.因此,La_2CuBiS_5展现出各向异性的热电特性,并且沿y方向上的热电特性最佳.
杨癸姚艳红马东伟
关键词:热电特性电子结构化合物英文塞贝克系数P型掺杂
Dependence of electron dynamics on magnetic fields in semiconductor superlattices
2013年
Numerical simulation results are presented for a drift-diffusion rate equation model which describes electronic transport due to sequential tunneling between adjacent quantum wells in weakly coupled semiconductor superlattices(SLs). The electron dynamics is dependent on the external magnetic field perpendicular to the electron motion direction, and a detailed explanation is given. Using different parameters, the system shows different dynamic behaviors, and three distinct phenomena are observed and controlled by increasing magnetic field.(i) For a lower doping density, the system state transfers from stable state to oscillationary state.(ii) An opposite result is obtained to that in the case(i) for an intermediate value of the doping density, and the state changes from oscillationary to stationary.(iii) The state varies between oscillationary and stationary when doping density is large. Then, a detailed theoretical analysis is given to explain these surprise phenomena. The distribution of the electric-field domain along the SLs is plotted. We find the structure of the domain is almost uniform for a lower doping density, and no domain occurs in the SLs. By adding an external ac signal, complex nonlinear behaviors are observed from the Poincare′ map and the corresponding phase diagrams when the driving frequency changes.
杨癸王磊田俊龙
关键词:半导体超晶格电子动力学外部磁场速率方程模型
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