相关论文: Understanding the $sp$ magnetism in substitutional…

Magnetic impurities adsorbed on graphene are coupled magnetically via the itinerant electrons. This interaction opens a gap in the band structure of graphene. The result strongly depends on how the magnetic impurities are distributed. While…

Motivated by recent studies reporting the formation of localized magnetic moments in doped graphene, we investigate the energetic cost for spin polarizing isolated impurities embedded in this material. When a well-known criterion for the…

Understanding the magnetic properties of graphenic nanostructures is instrumental in future spintronics applications. These magnetic properties are known to depend crucially on the presence of defects. Here we review our recent theoretical…

The effects of biaxial strain on the impurity-induced magnetism in P-doped graphene (P-graphene) and N-doped silicene (N-silicene) are studied by means of spin-polarized density functional calculations, using the supercell approach. The…

We investigate the effect of edge defects (vacancies) and impurities (substitutional dopants) on the robustness of spin-polarization in graphene nanoribbons (GNRs) with zigzag edges, using density-functional-theory calculations. We found…

The magnetic properties of graphene-related materials and in particular the spin-polarised edge states predicted for pristine graphene nanoribbons (GNRs) with certain edge geometries have received much attention recently due to a range of…

First-principles density functional theory (DFT) study of embedding V and Nb atom in monovacant and divacant graphene is reported. Complete/almost complete spin polarization is verified for V/Nb embedding in MV/DV graphene. The origin of…

The problem of a magnetic impurity, atomic or molecular, absorbed on top of a carbon atom in otherwise clean graphene is studied using the numerical renormalization group. The spectral, thermodynamic, and scattering properties of the…

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…

Graphene has vast promising applications on the nanoelectronics and spintronics because of its unique magnetic and electronic properties. Making use of an ab initio spin-polarized density functional theory, implemented by the method of…

A possibility to control magnetic properties by using electric fields is one of the most desirable characteristics for spintronics applications. Finding a suitable material remains an elusive goal, with only a few candidates found so far.…

Resonant scattering at the atomic absorbates in graphene was investigated recently in relation with the transport and gap opening problems. Attaching an impurity atom to graphene is believed to lead to the creation of unusual zero energy…

Inducing a robust long-range magnetic order in diamagnetic graphene remains a challenge. While nitrogen-doped graphene is reported to be a promising candidate, the corresponding exchange mechanism endures unclear and is essential to tune…

We perform a first principle calculation on the electronic properties of carbon doped graphitic boron nitride graphitic BN. It was found that carbon substitution for either boron or nitrogen atom in graphitic BN can induce spontaneous…

We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted…

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 study the spin relaxation in graphene due to magnetic moments induced by defects. We propose and employ in our studies a microscopic model that describes magnetic impurity scattering processes mediated by charge puddles. This model…

The plasmon modes of pristine and impurity doped graphene are calculated, using a real-space theory which determines the non-local dielectric response within the random phase approximation. A full diagonalization of the polarization…

Significant decrease of spontaneous magnetization in frustrated one-dimensional ferro- and ferrimagnets due to non-magnetic impurities is predicted. Using the density-matrix renormalization group method and the exact diagonalization method,…

We report {\it ab initio} calculations of the structural, electronic and magnetic properties of a graphene monolayer substitutionally doped with Co (Co$_{sub}$) atoms. We focus in Co because among traditional ferromagnetic elements (Fe, Co…