形状对硒化铅纳米线谷分裂的影响
Shape effect on the valley splitting in lead selenide nanowires
摘要：
我们在经验$sp^3d^5s^*$紧束缚方法的框架下研究了PbSe纳米线的横截面形状和尺寸对谷分裂的影响。我们考虑理想化的棱柱形纳米线，沿着[110]生长，横截面形状从矩形（由$\{001\}$和$\{110\}$刻面终止）到菱形（主要由$\{111\}$刻面终止）。谷分裂能量在矩形纳米线中具有最大值（高达数百meV），而在菱形纳米线中几乎不存在谷分裂能量。的形状依赖性示出是类似的宽范围的横截面尺寸和不同的点对称性的纳米线。
英文摘要：
We study the cross-section shape and size effects on the valley splitting in PbSe nanowires within the framework of empirical $sp^3d^5s^*$ tight-binding method. We consider ideallized prismatic nanowires, grown along [110], with the cross-section shape varying from rectangular (terminated by $\{001\}$ and $\{110\}$ facets) to rhombic (terminated mostly by $\{111\}$ facets). The valley splitting energies have the maximal value (up to hundreds meV) in rectangular nanowires, while in rhombic ones they are almost absent. The shape dependence is shown to be similar for a wide range cross-section sizes and different point symmetries of nanowires.
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