First-principles simulation on wire diameter dependence of piezoresistivity in zinc oxide nanowires
First-principles simulation on wire diameter dependence of piezoresistivity in zinc oxide nanowires
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DOI：
10.7567/jjap.54.06fj11
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发表时间：
2015-06-01
影响因子：
1.5
通讯作者：
Nakamura, Koichi
中科院分区：
文献类型：
--
作者：
Nakamura, Koichi
基于模型结构的第一性原理计算，模拟了具有取向的纤锌矿型氧化锌（ZnO）纳米线的压阻特性与线的关系< 0001 >。应变响应载流子电导率的n-或p-掺杂半导体纤锌矿-ZnO< 0001 >纳米线模型计算使用带载流子密度和相应的有效质量从一维能带图由我们原来的程序。在这个模拟中，p型掺杂的细纳米线模型的电导率急剧变化，由于纵向单轴应变，因为无论是子带之间的空穴的重新分布与完全不同的有效质量或有效质量的变化。其结果是，获得了较高的正纵向规范因子和压阻系数。另一方面，对于线直径大于1.5 nm的厚纳米线模型，纳米线本身的压阻率在n-和p-掺杂状态下基本上都很低。(C)2015日本应用物理学会
The wire dependence of piezoresistivity in wurtzite-type zinc oxide (ZnO) nanowires with a < 0001 > orientation has been simulated on the basis of the first-principles calculations of model structures. The strain responses to the carrier conductivity of n- or p-doped semiconducting wurtzite-ZnO < 0001 > nanowire models were calculated using band carrier densities and their corresponding effective masses derived from a one-dimensional band diagram by our original procedure. In this simulation, the conductivities of p-doped thin nanowire models change drastically owing to a longitudinal uniaxial strain because of either the redistribution of holes among subbands with completely different effective masses or the change in the effective mass. As a result, high positive longitudinal gauge factors and piezoresistance coefficients were obtained. On the other hand, for thick nanowire models with wire diameters of more than 1.5 nm, the piezoresistivity of the nanowire itself is essentially low in both the n- and p-doped states. (C) 2015 The Japan Society of Applied Physics