ACS Publications. Most Trusted. Most Cited. Most Read

OR SEARCH CITATIONS

My Activity
Recently Viewed
You have not visited any articles yet, Please visit some articles to see contents here.
Publications
CONTENT TYPES

Figure 1Loading Img
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. Lett. 2018, 9, 6, 1422-1428
RETURN TO ISSUEPREVLetterNEXT

Two-Dimensional Lattices of VN: Emergence of Ferromagnetism and Half-Metallicity on Nanoscale

  • Artem V. Kuklin*
    Artem V. Kuklin
    Siberian Federal University, 79 Svobodny pr., Krasnoyarsk 660041, Russia
    Department of Chemistry, Kyungpook National University, 80 Daehakro, Bukgu, Daegu 41566, Republic of Korea
    *E-mail: [email protected]
    More by Artem V. Kuklin
    Orcidhttp://orcid.org/0000-0002-9371-6213
    • , 
  • Svetlana A. Shostak
    Svetlana A. Shostak
    Department of Chemistry, Kyungpook National University, 80 Daehakro, Bukgu, Daegu 41566, Republic of Korea
    More by Svetlana A. Shostak
    • , and 
  • Alexander A. Kuzubov
    Alexander A. Kuzubov
    Siberian Federal University, 79 Svobodny pr., Krasnoyarsk 660041, Russia
    Department of Chemistry, Kyungpook National University, 80 Daehakro, Bukgu, Daegu 41566, Republic of Korea
    More by Alexander A. Kuzubov
Cite this: J. Phys. Chem. Lett. 2018, 9, 6, 1422–1428
Publication Date (Web):March 5, 2018
https://doi.org/10.1021/acs.jpclett.7b03276
Copyright © 2018 American Chemical Society
RIGHTS & PERMISSIONS
Article Views
1682
Altmetric
-
Citations
37
LEARN ABOUT THESE METRICS
Read OnlinePDF (4 MB)
Get e-Alerts
Supporting Info (1)»
SUBJECTS:

Abstract

Abstract Image

Two-dimensional (2D) ferromagnets with high spin-polarization ratio and high Curie temperature are crucial for developing next-generation spintronic nanodevices. Using first-principles calculations, we predict two polymorphic modifications (t-VN and h-VN) of 2D VN lattices that have robust intrinsic ferromagnetic properties and high Curie temperatures. Whereas t-VN has 99.9% of spin polarization at the Fermi level, h-VN possesses a half-metallic type of conductivity and keeps it after contact with semiconducting MoS2, which can be used as the substrate for h-VN synthesis and valley polarized contacts. Magnetocrystalline anisotropy energy of 2D VN polymorphs is found to be at least an order larger than those of Fe and Ni bulks. The phonon spectra and ab initio molecular dynamic simulation prove that 2D VN lattices have a high thermodynamic stability. These advantages demonstrate that the VN monolayers should be promising candidates for low-dimensional spintronic devices.

Supporting Information

ARTICLE SECTIONS
Jump To

The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpclett.7b03276.

  • Details of computational methods, VN unit cell calculation, COHP plots, PBE band structure, GW0 calculation of h-VN DOS, orbital-projected atomic densities of states, and some results of h-VN/MoS2 simulation. (PDF)

Terms & Conditions

Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

Cited By

This article is cited by 37 publications.

  1. Xue Jiang, Qinxi Liu, Jianpei Xing, Jijun Zhao. Two-Dimensional AXenes: A New Family of Room-Temperature d0 Ferromagnets and Their Structural Phase Transitions. The Journal of Physical Chemistry Letters 2019, 10 (24) , 7753-7759. https://doi.org/10.1021/acs.jpclett.9b03030
  2. Artem V. Kuklin, Gleb V. Baryshnikov, Boris F. Minaev, Nina Ignatova, Hans Ågren. Strong Topological States and High Charge Carrier Mobility in Tetraoxa[8]circulene Nanosheets. The Journal of Physical Chemistry C 2018, 122 (38) , 22216-22222. https://doi.org/10.1021/acs.jpcc.8b08596
  3. Jiaxiang Liang, Yanping Hou, Jie Sun, Hongxiang Zhu, Han Pang, Jinhang Yang, Mi Wang, Jiangli Sun, Jianhua Xiong, Wenyu Huang, Zebin Yu, Shuangfei Wang. Overpotential regulation of vanadium-doped chitosan carbon aerogel cathode promotes heterogeneous electro-Fenton degradation efficiency. Applied Catalysis B: Environmental 2022, 317 , 121794. https://doi.org/10.1016/j.apcatb.2022.121794
  4. Xiaoyu Xuan, Wanlin Guo, Zhuhua Zhang. Ferroelasticity in Two-Dimensional Tetragonal Materials. Physical Review Letters 2022, 129 (4) https://doi.org/10.1103/PhysRevLett.129.047602
  5. Nayana Devaraj, Kartick Tarafder. Spin‐Transport through Van der Waals Heterojunctions Based on 2D‐Ferromagnet and Transition Metal Dichalcogenides: A Study from First‐Principles Calculations. Advanced Theory and Simulations 2022, 103 , 2200178. https://doi.org/10.1002/adts.202200178
  6. Fangfang Zheng, Xu Xiao, Juan Xie, Liujiang Zhou, Youyong Li, Huilong Dong. Structures, properties and applications of two-dimensional metal nitrides: from nitride MXene to other metal nitrides. 2D Materials 2022, 9 (2) , 022001. https://doi.org/10.1088/2053-1583/ac52b3
  7. Xiaofei Bian, Shuang Lian, Bin Fu, Yukai An. Tunable spin-valley splitting and magnetic anisotropy of two-dimensional 2H-VS2/h-VN heterostructure. Journal of Magnetism and Magnetic Materials 2022, 546 , 168867. https://doi.org/10.1016/j.jmmm.2021.168867
  8. Yusuf Zuntu Abdullahi, Abdullahi Lawal, Thong Leng Lim, Sohail Ahmad. Electronic and magnetic properties of Ru Te 2 , Janus RuSTe and Mn − Ru Te 2 nanosheets: First-principles investigation. Materials Today Communications 2022, 30 , 103176. https://doi.org/10.1016/j.mtcomm.2022.103176
  9. Yusuf Zuntu Abdullahi, Sohail Ahmad, Abdullahi Abdu Ibrahim. Effects of the Hubbard U correction on the electronic and magnetic properties of the tetragonal V 2 P 2 sheet. RSC Advances 2021, 11 (56) , 35061-35068. https://doi.org/10.1039/D1RA07558F
  10. Atish Ghosh, Moumita Kar, Chiranjib Majumder, Pranab Sarkar. First-principles calculations to investigate electronic structure and transport properties of CrC monolayers: A new horizon for spintronic application. Materials Science and Engineering: B 2021, 272 , 115379. https://doi.org/10.1016/j.mseb.2021.115379
  11. Yusuf Zuntu Abdullahi, Zeynep Demir Vatansever, Ethem Aktürk, Ümit Akıncı, Olcay Üzengi Aktürk. Novel two-dimensional C r X B 2 (X=Cr, Ru) metal for high Néel temperature antiferromagnetic spintronics. Journal of Solid State Chemistry 2021, 302 , 122427. https://doi.org/10.1016/j.jssc.2021.122427
  12. Artem V. Kuklin, Lyudmila V. Begunovich, Lingfeng Gao, Han Zhang, Hans Ågren. Point and complex defects in monolayer Pd Se 2 : Evolution of electronic structure and emergence of magnetism. Physical Review B 2021, 104 (13) https://doi.org/10.1103/PhysRevB.104.134109
  13. Xue Jiang, Qinxi Liu, Jianpei Xing, Nanshu Liu, Yu Guo, Zhifeng Liu, Jijun Zhao. Recent progress on 2D magnets: Fundamental mechanism, structural design and modification. Applied Physics Reviews 2021, 8 (3) , 031305. https://doi.org/10.1063/5.0039979
  14. Jun Li, Yuhong Huang, Hongkuan Yuan, Hong Chen. Predicted hexagonal titanium nitride monolayer as an intrinsic ferromagnetic semiconductor. The European Physical Journal Applied Physics 2021, 95 (1) , 10601. https://doi.org/10.1051/epjap/2021210025
  15. Yelda Kadioglu. Ballistic transport and optical properties of a new half-metallic monolayer: Vanadium phosphide. Materials Science and Engineering: B 2021, 268 , 115111. https://doi.org/10.1016/j.mseb.2021.115111
  16. Xiang Lin, Zhuo Mao, Shengjie Dong, Xiaodong Jian, Rong Han, Ping Wu. First-principles study on the electronic structures and ferromagnetism of tetragonal AlN monolayer doped with Be and C. Computational Materials Science 2021, 193 , 110413. https://doi.org/10.1016/j.commatsci.2021.110413
  17. Xiang Lin, Zhuo Mao, Shengjie Dong, Xiaodong Jian, Rong Han, Ping Wu. Ferromagnetism and intrinsic half-metallicity of two-dimensional MnN monolayer with square-octagonal structure. Journal of Physics: Condensed Matter 2021, https://doi.org/10.1088/1361-648X/abf382
  18. Lingfeng Gao, Wenli Bao, Artem V. Kuklin, Shan Mei, Han Zhang, Hans Ågren. Hetero‐MXenes: Theory, Synthesis, and Emerging Applications. Advanced Materials 2021, 33 (10) , 2004129. https://doi.org/10.1002/adma.202004129
  19. Xiang Lin, Zhuo Mao, Shengjie Dong, Xiaodong Jian, Rong Han, Ping Wu. First-principles study on the electronic structures and magnetic properties of InN monolayer doped with Cr, Fe, and Ni. Physica E: Low-dimensional Systems and Nanostructures 2021, 127 , 114524. https://doi.org/10.1016/j.physe.2020.114524
  20. Atish Ghosh, Moumita Kar, Chiranjib Majumder, Pranab Sarkar. Half metallicity and ferromagnetism of vanadium nitride nanoribbons: a first-principles study. Physical Chemistry Chemical Physics 2021, 23 (2) , 1127-1138. https://doi.org/10.1039/D0CP05221C
  21. Haoshen Ye, Yijie Zhu, Dongmei Bai, Junting Zhang, Xiaoshan Wu, Jianli Wang. Spin valve effect in VN/GaN/VN van der Waals heterostructures. Physical Review B 2021, 103 (3) https://doi.org/10.1103/PhysRevB.103.035423
  22. Bingwen Zhang, Jie Sun, Jiancai Leng, Cheng Zhang, Jun Wang. Tunable two dimensional ferromagnetic topological half-metal CrO 2 by electronic correction and spin direction. Applied Physics Letters 2020, 117 (22) , 222407. https://doi.org/10.1063/5.0031443
  23. Zheng Li, Jianing Zhang, Baozeng Zhou. Electric polarization related Dirac half-metallicity in Mn-trihalide Janus monolayers. Physical Chemistry Chemical Physics 2020, 22 (45) , 26468-26477. https://doi.org/10.1039/D0CP05028H
  24. Kang Sheng, Zhi-Yong Wang, Hong-Kuan Yuan, Hong Chen. Two-dimensional hexagonal manganese carbide monolayer with intrinsic ferromagnetism and half-metallicity. New Journal of Physics 2020, 22 (10) , 103049. https://doi.org/10.1088/1367-2630/abbf6c
  25. Lei Jin, Xiaoming Zhang, Ying Liu, Xuefang Dai, Xunan Shen, Liying Wang, Guodong Liu. Two-dimensional Weyl nodal-line semimetal in a d 0 ferromagnetic K 2 N monolayer with a high Curie temperature. Physical Review B 2020, 102 (12) https://doi.org/10.1103/PhysRevB.102.125118
  26. Artem V. Kuklin, Maxim A. Visotin, Woohyeon Baek, Paul V. Avramov. CrI3 magnetic nanotubes: A comparative DFT and DFT+U study, and strain effect. Physica E: Low-dimensional Systems and Nanostructures 2020, 123 , 114205. https://doi.org/10.1016/j.physe.2020.114205
  27. Lyudmila V. Begunovich, Artem V. Kuklin, Maxim A. Visotin, Alexander A. Kuzubov, Felix N. Tomilin, Anton S. Tarasov, Yuri G. Mikhalev, Pavel V. Avramov. Triple VTe2/graphene/VTe2 heterostructures as perspective magnetic tunnel junctions. Applied Surface Science 2020, 510 , 145315. https://doi.org/10.1016/j.apsusc.2020.145315
  28. Huanhuan Xie, Yu Qie, Imran Muhammad, Qiang Sun. 2D CrCl 2 (pyrazine) 2 monolayer: high-temperature ferromagnetism and half-metallicity. Journal of Physics: Condensed Matter 2020, 32 (13) , 135801. https://doi.org/10.1088/1361-648X/ab5ca4
  29. Xiantao Jiang, Artem V. Kuklin, Alexander Baev, Yanqi Ge, Hans Ågren, Han Zhang, Paras N. Prasad. Two-dimensional MXenes: From morphological to optical, electric, and magnetic properties and applications. Physics Reports 2020, 848 , 1-58. https://doi.org/10.1016/j.physrep.2019.12.006
  30. Zheng Li, Baozeng Zhou, Chongbiao Luan. Strain-tunable magnetic anisotropy in two-dimensional Dirac half-metals: nickel trihalides. RSC Advances 2019, 9 (61) , 35614-35623. https://doi.org/10.1039/C9RA06474E
  31. Congming Ke, Yaping Wu, Weihuang Yang, Zhiming Wu, Chunmiao Zhang, Xu Li, Junyong Kang. Large and controllable spin-valley splitting in two-dimensional W S 2 / h − VN heterostructure. Physical Review B 2019, 100 (19) https://doi.org/10.1103/PhysRevB.100.195435
  32. N. Sethulakshmi, Avanish Mishra, P.M. Ajayan, Yoshiyuki Kawazoe, Ajit K. Roy, Abhishek K. Singh, Chandra Sekhar Tiwary. Magnetism in two-dimensional materials beyond graphene. Materials Today 2019, 27 , 107-122. https://doi.org/10.1016/j.mattod.2019.03.015
  33. Sunam Jeon, Yun-Tak Oh, Youngkuk Kim. Ferromagnetic nodal-line metal in monolayer h -InC. Physical Review B 2019, 100 (3) https://doi.org/10.1103/PhysRevB.100.035406
  34. Yinghe Zhao, Jun‐Jie Zhang, Shijun Yuan, Zhongfang Chen. Nonvolatile Electrical Control and Heterointerface‐Induced Half‐Metallicity of 2D Ferromagnets. Advanced Functional Materials 2019, 29 (24) , 1901420. https://doi.org/10.1002/adfm.201901420
  35. Xilong Xu, Yandong Ma, Baibiao Huang, Ying Dai. Two-dimensional ferroelastic semiconductors in single-layer indium oxygen halide InOY (Y = Cl/Br). Physical Chemistry Chemical Physics 2019, 21 (14) , 7440-7446. https://doi.org/10.1039/C9CP00011A
  36. Bingwen Zhang, Yina Huang, Weicheng Bao, Baolin Wang, Qiangqiang Meng, Lele Fan, Qinfang Zhang. Two-dimensional stable transition metal carbides (MnC and NbC) with prediction and novel functionalizations. Physical Chemistry Chemical Physics 2018, 20 (39) , 25437-25445. https://doi.org/10.1039/C8CP04541K
  37. Sina Safaei, Rouhollah Tavakoli, Mehdi Jafary-Zadeh. Molecular dynamics study of two dimensional silicon dioxides with in-plane negative Poisson’s ratio. Computational Materials Science 2018, 153 , 258-267. https://doi.org/10.1016/j.commatsci.2018.06.042

Pair your accounts.

Export articles to Mendeley

Get article recommendations from ACS based on references in your Mendeley library.

Pair your accounts.

Export articles to Mendeley

Get article recommendations from ACS based on references in your Mendeley library.

You’ve supercharged your research process with ACS and Mendeley!

STEP 1:
Click to create an ACS ID

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

MENDELEY PAIRING EXPIRED
Your Mendeley pairing has expired. Please reconnect

This website uses cookies to improve your user experience. By continuing to use the site, you are accepting our use of cookies. Read the ACS privacy policy.

CONTINUE