Electronic and magnetic properties of honeycomb transition metal monolayers: first-principles insights

2014 ◽  
Vol 16 (26) ◽  
pp. 13383-13389 ◽  
Author(s):  
Xinru Li ◽  
Ying Dai ◽  
Yandong Ma ◽  
Baibiao Huang

The electronic and magnetic properties of d-electron-based Dirac systems are studied by combining first-principles with mean field theory and Monte Carlo approaches.

2020 ◽  
Vol 233 ◽  
pp. 03003
Author(s):  
Francisco Brito ◽  
Eduardo V. Castro ◽  
João M.V.P. Lopes

We study the emergence of edge-magnetism in zigzag nanoribbons from electron-electron interactions in a minimal 3-band tight-binding descrip¬tion of transition-metal dichalcogenide monolayers with an intra-orbital Hub¬bard term. We explain the influence of each orbital in the magnetic ordering, comparing the results of Mean Field Theory and determinant Quantum Monte Carlo. We focus on a gapped edge-antiferromagnetic phase appearing at three-quarter edge-filling for realistic values of the interaction.


2020 ◽  
Vol 95 (4) ◽  
pp. 045803
Author(s):  
S Benyoussef ◽  
Y EL Amraoui ◽  
H Ez-Zahraouy ◽  
D Mezzane ◽  
Z Kutnjak ◽  
...  

2021 ◽  
pp. 413627
Author(s):  
G. Dimitri Ngantso ◽  
M. Karimou ◽  
A.L. Okana-Lomanga ◽  
A. Kadiri ◽  
R.A. Yessoufou ◽  
...  

2020 ◽  
Vol 89 (2) ◽  
pp. 024704
Author(s):  
Takuji Nomura ◽  
Yuji Yamamoto ◽  
Kenji Yoshii

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