314 citations · 646 across the 7 of their papers we have counts for
6 papers · 1 filter
"Narrow" Graphene Nanoribbons Made Easier by Partial Hydrogenation
Hongjun Xiang, Erjun Kan, Su-Huai Wei +2
It is a challenge to synthesize graphene nanoribbons (GNRs) with narrow widths and smooth edges in large scale. Our first principles study on the hydrogenation of GNRs shows that t…
Density functional analysis of the simultaneous charge/spin order and the associated Cu-Fe intersite charge transfer in LaCu3Fe4O12
Changhoon Lee, Erjun Kan, Myung-Hwan Whangbo
LaCu3Fe4O12 undergoes a phase transition at 393 K involving the spin order (SO) of the Fe sites and the charge order (CO) resulting in Cu-Fe intersite charge transfer. On the basis…
Hidden Symmetry and Mutiferroicity in a Triangular Spin Lattice With Proper-Screw-Spin Chain Order
E. J. Kan, H. J. Xiang, Y. Zhang +2
The multiferroicity in a triangular spin lattice with proper-screw-spin chain order was explored by performing density functional calculations for AgCrO2 and analyzing the symmetry…
Magnetism in Graphene Systems
Erjun Kan, Zhenyu Li, Jinlong Yang
Graphene has attracted a great interest in material science due to its novel electronic structrues. Recently, magnetism discovered in graphene based systems opens the possibility o…
Half Metallicity in Hybrid BCN Nanoribbons
Er-Jun Kan, Xiaojun Wu, Zhenyu Li +3
We report a first-principles electronic-structure calculation on C and BN hybrid zigzag nanoribbons. We find that half-metallicity can arise in the hybrid nanoribbons even though s…
Will Zigzag Graphene Nanoribbon Turn to Half Metal under Electric Field?
Er-Jun Kan, Zhenyu Li, Jinlong Yang +1
At B3LYP level of theory, we predict that the half-metallicity in zigzag edge graphene nanoribbon (ZGNR) can be realized when an external electric field is applied across the ribbo…