期刊
JOURNAL OF MATERIALS CHEMISTRY C
卷 6, 期 21, 页码 5716-5720出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8tc01302k
关键词
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资金
- National Key R&D Program of China [2017YFA0204800]
- Natural Science Funds of China [21525311, 21773027]
- Jiangsu 333 Project [BRA2016353]
- Scientific Research Foundation of Graduate School of Southeast University, China [YBJJ1773]
Two-dimensional materials with robust magnetism have been a long-sought goal because of their potential applications in information technology. Very recently, intrinsic ferromagnetic chromium triiodide (CrI3) was reported down to monolayer experimentally (B. Huang, et al., Nature, 2017, 546, 270). Herein, based on first-principles calculations, we show that the CrI3 monolayer can be switched from semiconducting to half-metallicity by lithium atom adsorption. The half-metallicity can be well preserved regardless of the Li concentration or the thickness of the CrI3 sheet. Moreover, the adsorption of Li atoms can further enhance the ferromagnetism of CrI3 sheets by increasing both the magnetic moment and the Curie temperature. The robust half-metallicity together with improved ferromagnetism may open up new promising applications of CrI3-based materials in spintronics.
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