自旋电子学
居里温度
铁磁性
单层
材料科学
凝聚态物理
Atom(片上系统)
磁性半导体
半导体
交换互动
带隙
化学物理
纳米技术
光电子学
化学
物理
嵌入式系统
计算机科学
作者
Xiaofeng Liu,Haidi Wang,Zhao Chen,Weiduo Zhu,Zhongjun Li,Wei Hu,Hai-Xiao Xiao,Xiao Cheng Zeng
出处
期刊:Nano Letters
[American Chemical Society]
日期:2023-12-20
卷期号:24 (1): 35-42
被引量:1
标识
DOI:10.1021/acs.nanolett.3c03044
摘要
Designing two-dimensional (2D) ferromagnetic (FM) semiconductors with elevated Curie temperature, high carrier mobility, and strong light harvesting is challenging but crucial to the development of spintronics with multifunctionalities. Herein, we show first-principles computation evidence of the 2D metal-organic framework Kagome ferromagnet Cr3(CN3)2. Monolayer Cr3(CN3)2 is predicted to be an FM semiconductor with a record-high Curie temperature of 943 K owing to the use of a single-atom linker (N), which results in strong direct d-p exchange interaction and hybridization between dyz/xz and pz of Cr and N, as well as excellent matching characteristics in energy and symmetry. The single-atom linker structural feature also leads to notable band dispersion and a relatively high carrier mobility of 420 cm2 V-1 s-1. Moreover, under the in-plane strain, 2D Cr3(CN3)2 can be tuned to possess a strong visible-light-harvesting functionality. These novel properties render monolayer Cr3(CN3)2 a distinct 2D ferromagnet with high potential for the development of multifunctional spintronics.
科研通智能强力驱动
Strongly Powered by AbleSci AI