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A non-perturbative relativistic tight-binding (TB) approximation method applicable to crystalline material immersed in a magnetic field was developed in 2015. To apply this method to any material in the magnetic field, the electronic…
We study the electronic structure of heterostructures formed by a graphene nanoribbon (GNR) and a transition metal dichalcogenides (TMD) monolayer using first-principles. We consider both semiconducting TMDs and metallic TMDs, and different…
Graphene and transition metal dichalcogenide flat-band systems show similar phase diagrams, replete with magnetic and superconducting phases. An abiding question has been whether magnetic ordering competes with superconductivity or…
The recent observation of superconductivity in proximity to an insulating phase in twisted bilayer graphene (TBG) at small `magic' twist angles has been linked to the existence of nearly-flat bands, which make TBG a fresh playground to…
Motivated by recent experimental data (Sepioni, M. et al. Phys. Rev. Lett. 2010, 105, 207205), we have studied the possibility of forming magnetic clusters with spin S> 1/2 on graphene by adsorption of hydrogen atoms or hydroxyl groups.…
Research on graphene has revealed remarkable phenomena arising in the honeycomb lattice. However, the quantum spin Hall effect predicted at the K point could not be observed in graphene and other honeycomb structures of light elements due…
Flat bands form in a 3D Hopf-linked graphene crystal or a 3D carbon allotrope named Hopfene, which qualitatively differ from bands of only graphenes. This paper discusses carbon-hexagon deformation on the level shift of a flat band via…
According to the Lieb's theorem the ferromagnetic interaction in graphene-based materials with bipartite lattice is a result of disbalance between the number of sites available for $p_z$ electrons in different sublattices. Here, we report…
In this article we investigate the possibility of generating piezoelectric orbital polarization in graphene-like systems which are deformed periodically. We start with discrete two-level models which depend on control parameters; in this…
Based on ab-initio calculations we identify possible scenarios for the Kondo effect due to Co ad-atoms on graphene. General symmetry arguments show that for magnetic atoms in high-symmetry positions, the Kondo effect in graphene is…
ABC-stacked multilayer graphene (ABC-MLG) exhibits topological surface flat bands with a divergent density of states, leading to many-body instabilities at charge neutrality. Here, we explore electronic ordering within a mean-field approach…
We theoretically design a graphene-based all-organic ferromagnetic semiconductor by terminating zigzag graphene nanoribbons (ZGNRs) with organic magnets. A large spin-split gap with 100% spin polarized density of states near the Fermi…
I consider the Hubbard model of graphene in an external magnetic field and in the Hartree-Fock approximation. In the continuum limit, the ground state energy at half filling becomes nearly symmetric under rotations of the three-component…
Graphene sandwiched between semiconducting monolayers of ferromagnet Cr$_2$Ge$_2$Te$_6$ and transition-metal dichalcogenide WS$_2$ acquires both spin-orbit (SO), of valley-Zeeman and Rashba types, and exchange couplings. Using…
Magnetic order emerging in otherwise non-magnetic materials as carbon is a paradigmatic example of a novel type of s-p electron magnetism predicted to be of exceptional high-temperature stability. It has been demonstrated that atomic scale…
We report on theoretical investigations of the spin-orbit coupling effects in fluorinated graphene. First-principles density functional calculations are performed for the dense and dilute adatom coverage limits. The dense limit is…
Using the multiband $d-p$ model and unrestricted Hartree-Fock approximation we investigate the electronic structure and spin-orbital order in three-dimensional MnO$_3$ lattice such as realized in LaMnO$_3$. The orbital order is induced and…
Topological orbital moments can arise in non-coplanar spin structures even in the absence of spin-orbit coupling and a net topological orbital magnetization occurs for the triple-Q state and for isolated skyrmions. For atomic-scale skyrmion…
The core of the vortex in the Neel order parameter for an easy-plane antiferromagnet on honeycomb lattice is demonstrated to bind two zero-energy states. Remarkably, a single electron occupying this mid-gap band has its spin fragmented…
Large spin-orbital proximity effects have been predicted in graphene interfaced with a transition metal dichalcogenide layer. Whereas clear evidence for an enhanced spin-orbit coupling has been found at large carrier densities, the type of…