标题： calcQPI: 一种模拟准粒子干涉的通用工具 显示英文标题

标题： calcQPI: A versatile tool to simulate quasiparticle interference

摘要： 准粒子干涉成像（QPI）提供了一种从使用扫描隧道显微镜获得的实空间图像中表征电子结构的途径。 它源于材料中缺陷处电子的散射。 QPI 图案编码了$k$-空间电子结构及其自旋和轨道纹理的细节。 从 QPI 测量中恢复这些信息并不容易，需要不仅对主要散射矢量进行建模，还要对波函数与显微镜探针的重叠进行建模。 虽然原则上可以从密度泛函理论（DFT）计算中模拟 QPI，但对于许多量子材料，更希望从紧束缚模型中模拟 QPI，以便修正 DFT 计算中的不准确性。 在此，我们介绍了一个高效的代码，使用连续格林函数方法从紧束缚模型中模拟准粒子干涉。 显示英文摘要

摘要： Quasiparticle interference imaging (QPI) provides a route to characterize electronic structure from real space images acquired using scanning tunneling microscopy. It emerges due to scattering of electrons at defects in the material. The QPI patterns encode details of the $k$-space electronic structure and its spin and orbital texture. Recovering this information from a measurement of QPI is non-trivial, requiring modelling not only of the dominant scattering vectors, but also the overlap of the wave functions with the tip of the microscope. While, in principle, it is possible to model QPI from density functional theory (DFT) calculations, for many quantum materials it is more desirable to model the QPI from a tight-binding model, where inaccuracies of the DFT calculation can be corrected. Here, we introduce an efficient code to simulate quasiparticle interference from tight-binding models using the continuum Green's function method.