Related papers: Competition between exchange-driven dimerization a…
In the present study, we propose a unique scheme to generate and control multiple flat bands in a decorated diamond chain by using a strain-induced proximity effect between the diagonal sites of each diamond plaquette. This is in complete…
Bandstructure calculations with different spin arrangement for the spin-chain compound MgVO_3 have been performed, and paramagnetic as well as magnetic solutions with ferro- and antiferromagnetically ordered chains are found, the magnetic…
Single-layer diamond or diamane is substituted by N atoms assisting the diamond-like structure to be stabilize without any passivation. One fourth of N substitution in diamane, vertically stacking as NCCC, is found to be stable by surface…
We investigate the electronic band structure and the proximity exchange effect in bilayer graphene on a family of ferromagnetic multilayers Cr$_2$X$_2$Te$_6$, X=Ge, Si, and Sn, with first principles methods. In each case the intrinsic…
Emergent quantum phases driven by electronic interactions can manifest in materials with narrowly dispersing, i.e. "flat", energy bands. Recently, flat bands have been realized in a variety of graphene-based heterostructures using the…
Unpaired electronic spins at diamond surfaces are ubiquitous and can lead to excess magnetic noise. They have been observed in several studies to date, but their exact chemical nature is still unknown. We propose a simple model to explain…
We study the phase diagram of interacting spinless fermions on the honeycomb bilayer at charge neutrality using large-scale quantum Monte Carlo simulations. In the noninteracting limit, the low-energy spectrum features quadratically…
Coherent spin-dependent transport through a junction containing of Normal/Ferromagnetic/Normal bilayer graphene nanoribbon with zigzag edges is investigated by using Landauer formalism. In a more realistic set-up, the exchange field is…
The balance between localised and delocalised electron distribution in the N,N'-dimethylpiperazine (DMP) molecule in the 3s Rydberg excited state and in the fully ionised DMP$^+$ provides a valuable test of density functionals, in…
The electronic and magnetic properties of neutral substitutional transition-metal dopants in dia- mond are calculated within density functional theory using the generalized gradient approximation to the exchange-correlation potential. Ti…
Flat band moir\'e superlattices have recently emerged as unique platforms for investigating the interplay between strong electronic correlations, nontrivial band topology, and multiple isospin 'flavor' symmetries. Twisted monolayer-bilayer…
We investigate the occurrence of magnetic and charge density wave instabilities in rhombohedral-stacked multilayer (three to eight layers) graphene by first principles calculations including exact exchange. Neglecting spin-polarization, an…
We propose, for the first time, that an array of diamond plaquettes, each possessing vanishing net magnetization, can achieve complete spin polarization over a broad bias window. Furthermore, this system can be utilized to realize…
The valence flat bands in transition metal dichalcogenide (TMD) heterobilayers are shown to exhibit strong intralayer spin-orbit coupling. This is reflected in a simple tight-binding model with spin-dependent complex hoppings based on the…
Recently a paper of Klimovskikh et al. was published presenting experimental and theoretical analysis of the graphene/Pb/Pt(111) system. The authors investigate the crystallographic and electronic structure of this graphene-based system by…
Controlling the electronic structure of two-dimensional materials using the combination of twist angle and electrostatic doping is an effective means to induce emergent phenomena. In bilayer graphene with an interlayer twist angle near the…
Understanding the nature of the interaction at the graphene/metal interfaces is the basis for graphene-based electron- and spin-transport devices. Here we investigate the hybridization between graphene- and metal-derived electronic states…
We study the magnetic interactions in atomic layers of Fe and 5d transition-metals such as Os, Ir, and Pt on the (001) surface of Rh using first-principles calculations based on density functional theory. For both stackings of the 5d-Fe…
Ferromagnetism and superconductivity typically compete with each other since the internal magnetic field generated in a magnet suppresses the formation of spin-singlet Cooper pairs in conventional superconductors. Only a handful of…
Symmetry considerations are used in presenting a model of the electronic structure and the associated dynamics of the nitrogen-vacancy center in diamond. The model accounts for the occurrence of optically induced spin polarization, for the…