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Chin. Phys. B, 2019, Vol. 28(7): 077301    DOI: 10.1088/1674-1056/28/7/077301
Special Issue: Virtual Special Topic — Magnetism and Magnetic Materials

Electronic and magnetic properties of CrI3 nanoribbons and nanotubes

Ji-Zhang Wang(王吉章)1,2, Jian-Qi Huang(黄建啟)1,2, Ya-Ning Wang(王雅宁)1,2, Teng Yang(杨腾)1, Zhi-Dong Zhang(张志东)1
1 Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China;
2 School of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, China

CrI3 in two-dimensional (2D) forms has been attracting much attention lately due to its novel magnetic properties at atomic large scale. The size and edge tuning of electronic and magnetic properties for 2D materials has been a promising way to broaden or even enhance their utility, as the case with nanoribbons/nanotubes in graphene, black phosphorus, and transition metal dichalcogenides. Here we studied the CrI3 nanoribbon (NR) and nanotube (NT) systematically to seek the possible size and edge control of the electronic and magnetic properties. We find that ferromagnetic ordering is stable in all the NR and NT structures of interest. An enhancement of the Curie temperature TC can be expected when the structure goes to NR or NT from its 2D counterpart. The energy difference between the FM and AFM states can be even improved by up to 3-4 times in a zigzag nanoribbon (ZZNR), largely because of the electronic instability arising from a large density of states of iodine-5p orbitals at EF. In NT structures, shrinking the tube size harvests an enhancement of spin moment by up to 4%, due to the reduced crystal-field gap and the re-balance between the spin majority and minority populations.

Keywords:  CrI3      nanoribbon      nanotube      magnetism  
Received:  11 April 2019      Revised:  10 May 2019      Published:  05 July 2019
PACS:  73.20.At (Surface states, band structure, electron density of states)  
  61.46.-w (Structure of nanoscale materials)  
  73.22.-f (Electronic structure of nanoscale materials and related systems)  

Project supported by the National Key R&D Program of China (Grant No. 2017YFA0206301) and the Major Program of Aerospace Advanced Manufacturing Technology Research Foundation NSFC and CASC, China (Grant No. U1537204).

Corresponding Authors:  Teng Yang     E-mail:

Cite this article: 

Ji-Zhang Wang(王吉章), Jian-Qi Huang(黄建啟), Ya-Ning Wang(王雅宁), Teng Yang(杨腾), Zhi-Dong Zhang(张志东) Electronic and magnetic properties of CrI3 nanoribbons and nanotubes 2019 Chin. Phys. B 28 077301

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