Ab Initio Study of Structural, Electronic, and Magnetic Properties of Transition Metal Atoms Intercalated AA-Stacked Bilayer Graphene

2016 ◽  
Vol 120 (39) ◽  
pp. 22710-22717 ◽  
Author(s):  
Xiuyun Zhang ◽  
Xinli Zhao ◽  
Yongjun Liu
2017 ◽  
Vol 103 ◽  
pp. 139-144 ◽  
Author(s):  
Dan-Xu Xing ◽  
Ceng-Ceng Ren ◽  
Shu-Feng Zhang ◽  
Yong Feng ◽  
Xin-Lian Chen ◽  
...  

2021 ◽  
Vol 23 (1) ◽  
pp. 506-513
Author(s):  
Fei Liu ◽  
Yujie Liao ◽  
Yanbing Wu ◽  
Zongyu Huang ◽  
Huating Liu ◽  
...  

We performed density functional theory calculations to investigate the electronic and magnetic properties of h-BN/MoS2 heterostructures intercalated with 3d transition-metal (TM) atoms, including V, Cr, Mn, Fe, Co, and Ni atoms.


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