Title of article :
Electromechanical properties of alternating AlN and SiC nanoribbon sheets
Author/Authors :
Li، نويسنده , , Xiaobao and Mi، نويسنده , , Changwen and Meng، نويسنده , , Fanchao and Lee، نويسنده , , In-Ho، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Pages :
5
From page :
129
To page :
133
Abstract :
The goal of this manuscript is to report on the electromechanical properties of alternating AlN and SiC nanoribbon sheets. Motivated by the fact that, at low temperatures, aluminum nitride and silicon carbide form freestanding monolayers, we employed first-principle calculations in an effort to elucidate the mechanical and electronic properties of domain boundaries separating the two distinct ribbon phases. The results suggest opposite deformation tendencies for two types of monolayer superlattices: negative and positive boundary stresses are identified for armchair and zigzag boundaries, respectively. In addition, armchair monolayers are semiconductors with wide band gaps. However, we found that zigzag monolayers are half metallic, with ferromagnetic spin ordering along individual boundaries and antiferromagnetic spin orientation among neighboring boundaries.
Keywords :
Compound graphene sheet , Edge/boundary stress , electronic band structure , First-principles study
Journal title :
Computational Materials Science
Serial Year :
2013
Journal title :
Computational Materials Science
Record number :
1691061
Link To Document :
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