GeS和GeSe单分子膜中的强束缚Mott-Wannier激子
Strongly bound Mott-Wannier Excitons in GeS and GeSe monolayers
摘要：
用从头计算GW-Bethe Salpeter方程计算了单层GeS和GeSe的激子光谱。G 0 W 0计算的能带结构发现一个基本的带隙为2.85 eV的GeS和1.70 eV的GeSe单层。然而，激子是紧密束缚的，特别是在GeS中的Γ点处，其中准粒子相互作用如此强，以至于它们将Γ激子峰能量移动到可见光范围内并且低于非Γ激子峰。在这两种材料中的最低能量的激子被激发光沿Z字形方向和激子的结合能分别为1.05 eV和0.4 eV，但尽管强结合，计算的结合能是一致的Mott-Wannier模型。
英文摘要：
The excitonic spectra of single layer GeS and GeSe are predicted by ab initio GW-Bethe Salpeter equation calculations. G 0 W 0 calculations for the band structures find a fundamental band gap of 2.85 eV for GeS and 1.70 eV for GeSe monolayer. However, excitons are tightly bound, specially in GeS at the Γ point, where the quasi-particle interactions are so strong that they shift the Γ exciton peak energy into the visible range and below the off-Γ exciton peak. The lowest energy excitons in both materials are excited by light along the zigzag direction and have exciton binding energies of 1.05 eV and 0.4 eV, respectively, but despite the strong binding, the calculated binding energies are in agreement with a Mott-Wannier model.
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