Semiconductor
to Metal to Half-Metal Transition in Pt-Embedded Zigzag Graphene Nanoribbons
- Publication date
- Publisher
Abstract
The electronic and magnetic properties
of Pt-embedded zigzag graphene nanoribbons (Pt–ZGNRs) are investigated
using density-functional theory calculations. It is found that Pt–ZGNRs
exhibit a semiconductor–metal–half-metal transition
as the position of Pt substitutional impurities in the ribbon changes
from the center to edge sites. This behavior can be attributed to
the interaction between Pt impurities and edge states of ZGNRs, which
governs the electron occupation of the edge states. The transition
always occurs independent of ribbon width. However, Pt impurity concentration
is important for obtaining this transition. Our results demonstrate
that Pt–ZGNRs can be used as versatile electronic devices
