Related papers: Magnetization profile for impurities in graphene n…
The impact of the edges and presence of dopants to the work function (WF) of graphene nanoribbons (GNR) and nanoflakes was studied by an ab initio approach. The strong dependence of the WF upon the GNR structure was found and a promising…
The electronic and optical properties of graphene nanoribbons under uniaxial periodic strain have been explored using various nearest-neighbor hopping patterns. It is found that by properly selecting hopping patterns, momentum-resolved gaps…
Substitutional impurities in the CuO2 planes of the cuprates allow us to probe the electronic properties of the host material. The pseudo-gap in the underdoped regime is unmodified far from the impurities even though Tc is greatly reduced.…
We investigate the edge-state magnetism of graphene nanoribbons using projective quantum Monte Carlo simulations and a self-consistent mean-field approximation of the Hubbard model. The static magnetic correlations are found to be short…
We have carried out an ab initio study of the structural, electronic and magnetic properties of zigzag graphene nanoribbons on Cu(111), Ag(111) and Au(111). Both, H-free and H-terminated nanoribbons are considered revealing that the…
Edge structure plays an essential role in the nature of electronic states in graphene nanoribbons. By focusing on the interplay between this feature and non-trivial topology in the domain of the Dirac confinement problem, this paper…
We have investigated structure, electronic, and magnetic properties of metal-terminated zigzag graphene nanoribbons (M-ZGNRs) by first-principles calculations. Two families of metal terminations are studied: (1) 3d-transition metals (TMs)…
We have performed density functional calculations as well as employed a tight-binding theory, to study the effect of passivation of zigzag graphene nanoribbons (ZGNR) by Hydrogen. We show that each edge C atom bonded with 2 H atoms open up…
We examine the possibility of using graphene nanoribbons (GNRs) with directly substituted chromium atoms as spintronic device. Using density functional theory, we simulate a voltage bias across a constructed GNR in a device setup, where a…
Graphene nanostructures can be engineered with atomic precision to display customized electronic states with application in spintronics or quantum technologies. In order to take advantage of their full potential, their charge and spin state…
The topological phases of graphene with spin-orbit coupling, an exchange field, and a staggered-sublattice potential determine the properties of the edge states of the zigzag nanoribbon. In the presence of the Hubbard interaction, the…
The design and fabrication of robust metallic states in graphene nanoribbons (GNRs) is a significant challenge since lateral quantum confinement and many-electron interactions tend to induce electronic band gaps when graphene is patterned…
Knowledge of the topology of the electronic ground state of materials has led to deep insights to novel phenomena such as the integer quantum Hall effect and fermion-number fractionalization, as well as other properties of matter. Joining…
We theoretically study the atomic structure and energetics of silicon and silicon-nitrogen impurities in graphene. Using density-functional theory, we get insight into the atomic structures of the impurities, evaluate their formation…
Based on atomistic simulations, the nonlinear elastic properties of monolayer graphene nanoribbons under quasistatic uniaxial tension are predicted, emphasizing the effect of edge structures (armchair and zigzag, without and with hydrogen…
The magnetic properties of zig-zag graphene nanoflakes (ZGNF) are investigated within the framework of the dynamical mean-field theory. At half-filling and for realistic values of the local interaction, the ZGNF is in a fully compensated…
We propose a unique way to control both bandgap and the magnetic properties of nanoscale graphene, which might prove highly beneficial for application in nanoelectronic and spintronic devices. We have shown that chemical doping by nitrogen…
We used a quantum Monte Carlo method to study the magnetic impurity adatoms on graphene. We found that by tuning the chemical potential we could switch the values of the impurity's local magnet moment between relatively large and small…
Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by…
Electronic structures of the zigzag bilayer graphite nanoribbons(Z-BGNR) with various ribbon width $N$ are studied within the tight binding approximation. Neglecting the inter-layer hopping amplitude $\gamma_4$, which is an order of…