期刊
NANO LETTERS
卷 22, 期 4, 页码 1573-1579出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.1c04398
关键词
two-dimensional material; Cr(II)-based metal-organic frameworks; aromatic ligands; magnets; first-principles
类别
资金
- National Natural Science Foundation of China [21675084, 22073087, 21890751, 12147105]
- MOST [2018YFA0208603, 2016YFA0200602]
- Youth Innovation Promotion Association CAS [2019441]
- Super Computer Centre of USTCSCC
- SCCAS
This study reports a method to enhance the Curie temperature of two-dimensional Cr(II) aromatic heterocyclic MOF magnets by strengthening the hybridization between metal ion and organic linkage. The results show that these MOF magnets exhibit ferrimagnetic semiconductor behavior and room-temperature magnetism. This research is of significant importance for nanoscale spintronics applications.
Two-dimensional (2D) metal-organic frameworks (MOFs) with room-temperature magnetism are highly desirable but challenging due to the weak superexchange interaction between metal atoms. For this purpose, strengthening the hybridization between metal ion and organic linkage presents an experiment-feasible chemical solution to enhance the Curie temperature. Here, we report three 2D Cr(II) aromatic heterocyclic MOF magnets with enhanced Curie temperature by bridging Cr(II) ions with pyrazine, 1,4-diphosphinine, and 1,4-diarsenin linkers, i.e., Cr(pyz)(2), Cr(diphos)(2), and Cr(diarse)(2), and using first-principles calculations. Our results show that Cr(pyz)(2), Cr(diphos)(2), and Cr(diarse)(2) are ferrimagnetic semiconductors. In particular, the Curie temperature of Cr(pyz)(2) is estimated to be about 344 K and could be enhanced to 512 and 437 K in Cr(diphos)(2 )and Cr(diarse)(2) by strengthening the hybridization between Cr ions and organic linkers via d-pi* direct exchange interaction. This study presents a prototype to obtain room-temperature magnetism in 2D Cr(II)-based MOF magnets for nanoscale spintronics applications.
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