蜂窝材料高通量识别的几何方法
Geometric Approach to the High-Throughput Identification of Honeycomb Materials
浏览论文内容
中文总结 AI 辅助
本文提出一种基于几何论证的过滤算法，用于高通量识别具有蜂窝结构基序的材料，将其分为四类并识别畸变类型，同时提供筛选标准以辅助实验表征。
中文摘要 AI 辅助
蜂窝晶格是凝聚态物理中一个标志性的结构基序。然而，新兴的理论模型要求识别具有严格结构、磁性和电子特性规范的新型蜂窝晶格材料。在这项工作中，我们引入了一种基于简单几何论证的过滤算法，用于检测具有蜂窝结构基序的材料。我们将晶格分为四类独特的类别：传统蜂窝、超蜂窝、阶梯或之字形蜂窝以及全三维蜂窝。我们还在传统蜂窝集合中识别了几种畸变基序：拉长、剪切和屈曲蜂窝。我们描述了几种用于进一步分析蜂窝系统的筛选标准，特别是二维材料中可剥离性的量化、磁性蜂窝的识别，以及用于识别电子不稳定性的态密度峰质量度量。包含过滤结果和后续分析的数据库是识别针对实验表征的目标物理现象的新型材料的有用工具。
英文摘要
The honeycomb lattice is an iconic structural motif in condensed matter physics. However, emerging theoretical models require the identification of new honeycomb lattice materials with strict specification on their structural, magnetic, and electronic characteristics. In this work, we introduce a filtering algorithm using simple geometric arguments to detect materials with honeycomb structural motifs. We classify four unique categories of lattices: conventional honeycombs, hyperhoneycombs, staircase or zigzag honeycombs, and fully 3D honeycombs. We also identify several distortion motifs in the conventional honeycomb set: elongated, sheared, and buckled honeycombs. We describe several screening criteria for further analysis of honeycomb systems, specifically the quantification of exfoliability in 2D materials, the identification of magnetic honeycombs, and a density-of-states peak quality metric for identification of electronic instabilities. The database containing the results of the filters and subsequent analysis is a useful tool for identifying novel materials for targeted physical phenomena for experimental characterization.
发表机构
- Stewart Blusson Quantum Matter Institute, University of British Columbia（不列颠哥伦比亚大学斯特瓦特·布拉斯量子物质研究所）
- Department of Physics & Astronomy, University of British Columbia（不列颠哥伦比亚大学物理与天文系）
- Canadian Institute for Advanced Research (CIFAR)（加拿大高级研究院）
机构由 AI 辅助整理，请以论文原文为准。
