TopoTB:用于计算紧束缚模型电子结构和拓扑性质的软件包
TopoTB: A software package for calculating the electronic structure and topological properties of the tight-binding model
AI总结:
TopoTB是一个基于Mathematica的软件包,用于计算紧束缚模型的电子结构与拓扑性质,具有交互界面和DFT结果处理功能,是材料理论研究的实用工具。
摘要:
我们介绍了TopoTB,一个用Mathematica语言编写的软件包,旨在基于紧束缚模型计算电子结构、拓扑性质和相图。TopoTB用户友好,具有交互式用户界面,能够以所见即所得的方式调节模型参数以拟合目标能带。此外,TopoTB还包含处理密度泛函理论计算结果的函数。TopoTB的输出丰富且可读,并能以多种样式显示。这些特性使TopoTB成为材料理论研究的实用工具。
英文摘要:
We present TopoTB, a software package written in the Mathematica language, designed to compute electronic structures, topological properties, and phase diagrams based on tight-binding models. TopoTB is user-friendly, with an interactive user interface that enables the tuning of model parameters for fitting the target energy bands in a WYSIWYG way. In addition, TopoTB also includes functionalities for processing results from Density Functional Theory calculations. The outputs of TopoTB are rich and readable, and they can be displayed in various styles. These features make TopoTB a useful tool for the theoretical study of materials.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。