The edge reconstructions of zigzag graphene nanoribbons with one and two lines of alternating fused five and seven membered rings along one edge with hydrogen passivation are studied using first principles density functional theory. Reconstructions on one edge stabilize the systems in a metallic ground state with finite magnetic moment. The reconstructed edge suppresses the local spin density of atoms and contributes a finite density of states at the Fermi energy. Our study shows the possibilities of fabricating the metallic electrodes for semiconducting graphene devices with full control over their magnetic behavior without any lattice mismatch between leads and the channel
Recent outbreaks in bottom-up chemical techniques have demonstrated the synthesis of atomically perf...
We investigate how parameters of the model of semi-infinite graphene based on a graphene nanoribbon ...
In contrast to the well-recognized transverse-electric-field-induced half-metallicity in zigzag grap...
Electronic structures of zigzag edged graphene nanoribbons (ZGNRs) doped with boron (B) or nitrogen ...
We perform first-principles calculations based on density functional theory to study quasi-one-dimen...
This document is the unedited Author’s version of a Submitted Work that was subsequently accepted fo...
The electronic structure of zigzag graphene nanoribbon (ZGNR) is studied using density functional th...
We perform density functional calculations on one-dimensional zigzag edge graphene nanoribbons (ZGNR...
The effects of ribbon size on the spin properties of zigzag graphene nanoribbon (ZGNR) with and with...
The physical and chemical properties of decorated graphene and graphene ribbons, single-layer III-V ...
In this paper, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defect...
Convergence of the energetics of reactions at graphene edges in density functional theory calculatio...
Graphene, a single-layer network of carbon atoms, shows outstanding electrical and mechanical proper...
Graphene, a single-layer network of carbon atoms, has outstanding electrical and mechanical properti...
Perfect spin filtering is an important issue in spintronics. Although such spin filtering showing gi...
Recent outbreaks in bottom-up chemical techniques have demonstrated the synthesis of atomically perf...
We investigate how parameters of the model of semi-infinite graphene based on a graphene nanoribbon ...
In contrast to the well-recognized transverse-electric-field-induced half-metallicity in zigzag grap...
Electronic structures of zigzag edged graphene nanoribbons (ZGNRs) doped with boron (B) or nitrogen ...
We perform first-principles calculations based on density functional theory to study quasi-one-dimen...
This document is the unedited Author’s version of a Submitted Work that was subsequently accepted fo...
The electronic structure of zigzag graphene nanoribbon (ZGNR) is studied using density functional th...
We perform density functional calculations on one-dimensional zigzag edge graphene nanoribbons (ZGNR...
The effects of ribbon size on the spin properties of zigzag graphene nanoribbon (ZGNR) with and with...
The physical and chemical properties of decorated graphene and graphene ribbons, single-layer III-V ...
In this paper, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defect...
Convergence of the energetics of reactions at graphene edges in density functional theory calculatio...
Graphene, a single-layer network of carbon atoms, shows outstanding electrical and mechanical proper...
Graphene, a single-layer network of carbon atoms, has outstanding electrical and mechanical properti...
Perfect spin filtering is an important issue in spintronics. Although such spin filtering showing gi...
Recent outbreaks in bottom-up chemical techniques have demonstrated the synthesis of atomically perf...
We investigate how parameters of the model of semi-infinite graphene based on a graphene nanoribbon ...
In contrast to the well-recognized transverse-electric-field-induced half-metallicity in zigzag grap...