Tuning intrinsic ferromagnetic and anisotropic properties of the Janus VSeS monolayer

被引:18
作者
Abdollahi, Mahsa [1 ]
Bagheri Tagani, Meysam [1 ]
机构
[1] Univ Guilan, Dept Phys, Computat Nanophys Lab CNL, POB 41335-1914, Rasht, Iran
关键词
TRANSITION; METAL; SEMICONDUCTORS; DISCOVERY; MAGNETISM; CRYSTAL; SE;
D O I
10.1039/d0tc03147j
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Motivated by the intrinsic ferromagnetic properties and high Curie temperature of V-based Janus dichalcogenide monolayers as a new class of 2D materials, we investigated the structural, electronic and magnetic properties of the Janus VSeS monolayer by first-principles calculations. By focusing on the 2H phase, which is energetically more favorable than the 1T phase, we show that the spin orientation has a profound effect on the dynamical stability and electronic structure of the VSeS monolayer. Transition from non-magnetic to magnetic phase opens a band gap and switching from anti-ferromagnetic (AFM) to ferromagnetic (FM) phase eliminates imaginary modes of phonon dispersion and stabilizes the monolayer. Magnetic and anisotropic phase diagrams of the ferromagnetic VSeS monolayer are also studied under an applied biaxial strain. Tensile strain enhances the FM coupling by modifying through-bond and through-space interactions. Magnetic anisotropy energy is tunable by charge doping and a small carrier concentration can induce a transition from a ferromagnetic semiconductor to a half-metal. Moreover, by means of the 2D XY model, we estimate that the Berezinskii-Kosterlitz-Thouless (BKT) transition to a quasi-long-range ordered phase occurs at 83 K. We also simulate a vertical van der Waals heterostructure of VSeS/hBN to study not only the magnetic proximity effect, but also the magnetic properties of the VSeS monolayer on a substrate. The results indicate that the heterostructure is a ferromagnetic semiconductor and the VSeS monolayer preserves its magnetic properties, demonstrating high potential for application in spintronics.
引用
收藏
页码:13286 / 13296
页数:11
相关论文
共 74 条
[1]   Tunable magnetic anisotropy in Cr-trihalide Janus monolayers [J].
Albaridy, Rehab ;
Manchon, Aurelien ;
Schwingenschlogl, Udo .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2020, 32 (35)
[2]  
[Anonymous], 2017, J. Phys.: Condens. Matter, DOI DOI 10.1088/1361-648X/AA6E6E
[3]  
BEREZINSKII VL, 1971, ZH EKSP TEOR FIZ, V32, P493
[4]  
Blugel S., 2007, HDB MAGNETISM ADV MA
[5]   Strong room-temperature ferromagnetism in VSe2 monolayers on van der Waals substrates [J].
Bonilla, Manuel ;
Kolekar, Sadhu ;
Ma, Yujing ;
Diaz, Horacio Coy ;
Kalappattil, Vijaysankar ;
Das, Raja ;
Eggers, Tatiana ;
Gutierrez, Humberto R. ;
Manh-Huong Phan ;
Batzill, Matthias .
NATURE NANOTECHNOLOGY, 2018, 13 (04) :289-+
[6]   Spin-orbit-induced spin splittings in polar transition metal dichalcogenide monolayers [J].
Cheng, Y. C. ;
Zhu, Z. Y. ;
Tahir, M. ;
Schwingenschloegl, U. .
EPL, 2013, 102 (05)
[7]   Charge Density Wave State Suppresses Ferromagnetic Ordering in VSe2 Monolayers [J].
Coelho, Paula Mariel ;
Kien Nguyen Cong ;
Bonilla, Manuel ;
Kolekar, Sadhu ;
Manh-Huong Phan ;
Avila, Jose ;
Asensio, Maria C. ;
Oleynik, Ivan I. ;
Batzill, Matthias .
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 123 (22) :14089-14096
[8]   Graphene-Organic Two-Dimensional Charge-Transfer Complexes: Intermolecular Electronic Transitions and Broadband Near-Infrared Photoresponse [J].
Cui, Menghua ;
Guo, Yuzheng ;
Zhu, Yiming ;
Liu, Haining ;
Wen, Wen ;
Wu, Juanxia ;
Cheng, Linxiu ;
Zeng, Qingdao ;
Xie, Liming .
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 122 (13) :7551-7556
[9]   Triphasic 2D Materials by Vertically Stacking Laterally Heterostructured 2H-/1T-MoS2 on Graphene for Enhanced Photoresponse [J].
Cui, Weili ;
Xu, Shanshan ;
Yan, Bo ;
Guo, Zhihua ;
Xu, Qun ;
Sumpter, Bobby G. ;
Huang, Jingsong ;
Yin, Shiwei ;
Zhao, Huijun ;
Wang, Yun .
ADVANCED ELECTRONIC MATERIALS, 2017, 3 (07)
[10]   Gate-tunable room-temperature ferromagnetism in two-dimensional Fe3GeTe2 [J].
Deng, Yujun ;
Yu, Yijun ;
Song, Yichen ;
Zhang, Jingzhao ;
Wang, Nai Zhou ;
Sun, Zeyuan ;
Yi, Yangfan ;
Wu, Yi Zheng ;
Wu, Shiwei ;
Zhu, Junyi ;
Wang, Jing ;
Chen, Xian Hui ;
Zhang, Yuanbo .
NATURE, 2018, 563 (7729) :94-+