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A formula for calculating the effective mass of electrons at the bottom of conduction band is derived as m_o~*/m_o=0.05966 E_g(E_g+1)/(E_g+0.667), by taking Kane's mode and the energy band parameters obtained from the best fit between theoretical and experimental intrinsic absorption curves for very thin samples of Hg_(1-x)Cd_x Te. Then the effective mass of electrons in conduction band at the wave vectork may be calculated by the expression (m~*/m_0) = (w_o~*/m_o)2/1(l+8P~2k~2/3E_g~2.The calculated...

A formula for calculating the effective mass of electrons at the bottom of conduction band is derived as m_o~*/m_o=0.05966 E_g(E_g+1)/(E_g+0.667), by taking Kane's mode and the energy band parameters obtained from the best fit between theoretical and experimental intrinsic absorption curves for very thin samples of Hg_(1-x)Cd_x Te. Then the effective mass of electrons in conduction band at the wave vectork may be calculated by the expression (m~*/m_0) = (w_o~*/m_o)2/1(l+8P~2k~2/3E_g~2.The calculated results agree well with the experimental ones.

根据Hg_(1-x)Cd_xTe本征吸收光谱拟合计算获得的能带参数,利用Kane模型得到导带底电子有效质量的计算公式:(m_0~*/m_0)=0.05966E_g(E_g+1)/(E_g+0.667)。再根据(m~*/m_0)=(m_0~*/m_0)((1+8P~2K~2)/3E_g~2)~(1/2),可以计算波矢为k处的导带电子有效质量,计算结果与实验结果符合较好。

In this paper, the EHMO/CO method is used to calculate the energy band structures of the high-level MF5(M = P, As, Sb)-doped Polyacetylene (PA). After comparing the energy band parameters of MF5-doped PA with MF5-doped PA's, the MF6 is confirmed to be the effective conducting dopant of PA. Further, based on the analyzing the.energy band parameters of PF6, AsF6 and SbF6-doped PA, the deter-minted conductivities order of the doped PAs, which is AsF6>SbF6-PF6, is well explained. At last,...

In this paper, the EHMO/CO method is used to calculate the energy band structures of the high-level MF5(M = P, As, Sb)-doped Polyacetylene (PA). After comparing the energy band parameters of MF5-doped PA with MF5-doped PA's, the MF6 is confirmed to be the effective conducting dopant of PA. Further, based on the analyzing the.energy band parameters of PF6, AsF6 and SbF6-doped PA, the deter-minted conductivities order of the doped PAs, which is AsF6>SbF6-PF6, is well explained. At last, the conductivity order is yet explained by using the electronega-tivities and atomic radius of the elements P, As, Sb.

本文采用EHMO晶体轨道方法计算了第五主族氟化物高掺杂聚乙炔的能带结构.通过比较它们五氟化物和六氟化物掺杂聚乙炔的能带结构参数,肯定了六氟化物为聚乙炔的有效导电掺杂剂.在进一步比较PF_6,AsF_6和SbF_6掺杂聚乙炔能带结构的基础上,满意地解释了掺杂物电导率实验测定的次序:AsF_6>SbF_6~PF_6.最后,本文又从P,As,Sb的电负性和原子半径的角度讨论了这一次序的起因.

Energy gap and energy band parameters were determined by using cyclic voltammetry.The result of the above method was compared with that of UV Vis spectrum method for some examples.The result of the former was basically in accordance with that of the latter,its deviation was within the permissive range.Both of the method have higher accuracy and reliability,so they can be used conveniently in relative research work.

介绍了用循环伏安法确定导电聚合物能隙和能带参数的方法。并通过一些实例将这一测定结果与用紫外 可见吸收光谱法测定能隙之结果进行了比较。两种方法所得结果基本一致。其偏差在允许范围之内 ,均具有较高的准确性和可靠性。故认为可在相关研究工作中视具体需要灵活运用。

 
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