相关论文: Magnetization profile for impurities in graphene n…
We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially)…
Based on first-principles calculations, electronic properties of edge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO2 substrate are presented. Metallic or semiconducting properties of ZGNRs are revealed due to various…
Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…
It is now possible to produce graphene nanoribbons (GNRs) with atomically defined widths. GNRs offer many opportunities for electronic devices and composites, if it is possible to establish the link between edge structure and…
Due to their unique electrical properties, graphene nanoribbons (GNRs) show great promise as the building blocks of novel electronic devices. However, these properties are strongly dependent on the geometry of the edges of the graphene…
Graphene nanoribbons' electronic transport properties strongly depend on the type of edge, armchair, zigzag or other, and on edge functionalization that can be used for band-gap engineering. For only partly hydrogenated edges interesting…
Based on first-principles calculations, electronic properties of edge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO2 substrate are presented. Metallic or semiconducting properties of ZGNRs are revealed due to various…
We study the edge magnetization and the local density of states of chiral graphene nanoribbons using a {\pi}-orbital Hubbard model in the mean-field approximation. We show that the inclusion of a realistic next-nearest hopping term in the…
Recent works have shown how the electrical properties of graphene nanoribbons (GNRs) show a size-dependence in terms of resistivity, charge neutrality point (CNP) and band structure once their widths drop below approximately 50 nm. It has…
We study a Kondo impurity model with additional uniaxial anisotropy D in a non-zero magnetic field B using the Numerical Renormalization Group (NRG). The ratio g_e/g_S of electron and impurity g-factor is regarded as a free parameter and,…
Using first-principles plane wave calculations we predict that electronic and magnetic properties of graphene nanoribbons can be affected by defect-induced itinerant states. The band gaps of armchair nanoribbons can be modified by hydrogen…
The interplay of magnetism and topology lies at the heart of condensed matter physics, which offers great opportunities to design intrinsic magnetic topological materials hosting a variety of exotic topological quantum states including the…
Atomically precise graphene nanoribbons (GNRs) are predicted to exhibit exceptional edge-related properties, such as localized edge states, spin polarization, and half-metallicity. However, the absence of low-resistance nano-scale…
Thermoelectric properties of Graphene Nanoribbons doped by magnetic impurities Fe and Co are carried out in room temperature. We report on a study of the band structure dependent properties such as electrical conductivity, charge of…
We present an analytical investigation of the quasi-Coulomb impurity states in a narrow gapped armchair graphene nanoribbon (GNR) in the presence of a uniform external electric field directed parallel to the ribbon axis. The effect of the…
We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interacting with carbon monovacancies in graphene. We pay special…
Based on a first-principles approach, we present scaling rules for the band gaps of graphene nanoribbons (GNRs) as a function of their widths. The GNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen…
This article summarizes our understanding of the Kondo effect in graphene, primarily from a theoretical perspective. We shall describe different ways to create magnetic moments in graphene, either by adatom deposition or via defects. For…
We propose a class of graphene nanoribbons showing strong intrinsic ferromagnetic behavior due to their asymmetry. Such ribbons are based on a zig-zag edged backbone surmounted by a periodic, triangular notched region of variable size. The…
Recent experimental findings and theoretical predictions suggest that nitrogen-doped CVD-grown graphene may give rise to electronic band gaps due to impurity distributions which favour segregation on a single sublattice. Here we demonstrate…