IV族二维材料纳米尺寸效应的第一性原理研究
2024.08.30
投稿：龚惠英部门：理学院浏览次数：
活动信息
报告题目 (Title)：First-Principles Study of Nanometer Size Effect on Group-IV 2-D Materials（IV族二维材料纳米尺寸效应的第一性原理研究）
报告人 (Speaker)：赵建华（济宁学院）
报告时间 (Time)：2024年8月30日(周五) 10:30-12:30
报告地点 (Place)：校本部 E106
邀请人 (Inviter)：任伟 教授
主办部门：理学院物理系
摘要 (Abstract)：
With continued shrinkage of device size in microchips, lateral in-plane coupling (LIPC) between neighboring materials or devices becomes increasingly important. Properties brought about by lateral in-plane coupling between graphene nanoribbons (GNRs) are investigated using the ?rst-principle calculations. It is found that, when two GNRs approach each other, the lateral coupling between the two brings about edge state splitting. Between zigzag-edged graphene nanoribbons (ZGNRs), the coupling mainly results from Coulomb and spin-spin interaction, while for armchair-edged graphene nanoribbons (AGNRs), it is from Coulomb interaction only. It is further found that the maximum inter-ribbon distance for effective coupling depends on the type of ribbons, which is ~10 ? for ZGNRs, but ~6 ? for AGNRs. In addition, properties brought about by LIPC between two-dimensional zigzag-edged silicon (silicene), germanium (germanene), tin (stannene), and lead (plumbene) nanoribbons (ZXNRs; X=Si, Ge, Sn, and Pb) are also respectively investigated using the similar method. It is further found that the maximum inter-ribbon distance for e?ective coupling is ~ 12 ?, which is not dependent on the element, for zigzag group-IV graphene-like nanoribbons. The results may be important for the microminiaturization of future nanoelectronic and spintronic devices based on group-IV graphene-like materials.
