Unit Cell Structure of Crystal Polytypes in InAs and InSb Nanowires
Unit Cell Structure of Crystal Polytypes in InAs and InSb Nanowires
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DOI：
10.1021/nl1041512
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发表时间：
2011-04-01
期刊：
影响因子：
10.8
通讯作者：
Bauer, Guenther
中科院分区：
文献类型：
--
作者：
Kriegner, Dominik;Panse, Christian;Bauer, Guenther
III-V族化合物半导体的六方多型体中的原子距离不同于仅从（111）晶格平面的堆叠顺序的改变所预期的值。虽然这些变化是难以量化到目前为止，我们准确地确定了晶格参数的锌铌酸盐，纤锌矿，和4 H多型InAs和InSb纳米线，使用X射线衍射和透射电子显微镜。结果进行了比较，密度泛函理论计算。实验和理论表明，与锌单晶相比，六方双层膜的出现使平行于c轴的原子层间距增大，面内间距减小。晶格参数的变化与多型体的六边形性成线性关系，多型体的六边形性定义为在一个晶胞内具有六边形特征的双层的分数。
The atomic distances in hexagonal polytypes of III-V compound semiconductors differ from the values expected from simply a change of the stacking sequence of (111) lattice planes. While these changes were difficult to quantify so far, we accurately determine the lattice parameters of zinc blende, wurtzite, and 4H polytypes for InAs and InSb nanowires, using X-ray diffraction and transmission electron microscopy. The results are compared to density functional theory calculations. Experiment and theory show that the occurrence of hexagonal bilayers tend to strech the distances of atomic layers parallel to the c-axis and to reduce the in-plane distances compared to those in zinc blende. The change of the lattice parameters scales linearly with the hexagonality of the polytype, defined as the fraction of bilayers with hexagonal character within one unit cell.