论文标题
审查表现出电荷密度波的2D材料的理论和计算方法
Review of Theoretical and Computational Methods for 2D Materials Exhibiting Charge Density Waves
论文作者
论文摘要
表现出电荷密度波（CDW）的二维（2D）材料已经产生了许多研究努力，以期将其异国特性用于各种基于量子的技术。围绕CDW的早期研究主要集中在散装材料上。但是，此后，量子设备的应用需要从几层材料中构造的设备才能充分利用材料的性能。在过去的几十年中，该领域已大大扩展，保证关注2D材料中CDW的计算工作。在这篇综述中，我们将在以下有关TAS2和Tase2的相关的，理论驱动的子主题中涵盖基础：一般计算技术和方法的摘要，原子结构，拉曼模式以及约束和维度的影响。通过了解计算方法如何使量子材料中的令人难以置信的进步，人们可能会期待随着现场带来21世纪的我们的持续追求方向。
Two-dimensional (2D) materials that exhibit charge density waves (CDWs) have generated many research endeavors in the hopes of employing their exotic properties for various quantum-based technologies. Early investigations surrounding CDWs were mostly focused on bulk materials. However, applications for quantum devices have since required devices to be constructed from few-layer material to fully utilize the material's properties. This field has greatly expanded over the decades, warranting a focus on the computational efforts surrounding CDWs in 2D materials. In this review, we will cover ground in the following relevant, theory-driven subtopics for TaS2 and TaSe2: summary of general computational techniques and methods, atomic structures, Raman modes, and effects of confinement and dimensionality. Through understanding how the computational methods have enabled incredible advancements in quantum materials, one may anticipate the ever-expanding directions available for continued pursuit as the field brings us through the 21st century.
