@article{Wu2011, 
author = {Menghao Wu and Xiaojun Wu and Yong Pei and Xiao Cheng Zeng},
title = {Inorganic Nanoribbons with Unpassivated Zigzag Edges: Half Metallicity and Edge Reconstruction},
year = {2011},
journal = {Nano Research},
volume = {4},
number = {2},
pages = {233-239},
keywords = {AlN and SiC nanoribbons, half metallicity, unpassivated zigzag edge, edge reconstruction, density functional theory},
url = {https://www.sciopen.com/article/10.1007/s12274-010-0074-9},
doi = {10.1007/s12274-010-0074-9},
abstract = {We have investigated the electronic and structural properties of inorganic nanoribbons (BN, AlN, GaN, SiC, and ZnO) with unpassivated zigzag edges using density functional theory calculations. We find that, in general, the unpassivated zigzag edges can lead to spin-splitting of energy bands. More interestingly, the inorganic nanoribbons AlN and SiC with either one or two edges unpassivated are predicted to be half metallic. Possible structural reconstruction at the unpassivated edges and its effect on the electronic properties are investigated. The unpassivated N edge in the BN nanoribbon and P edge in the AlP nanoribbon are energetically less stable than the corresponding reconstructed edge. Hence, edge reconstruction at the two edges may occur at high temperatures. Other unpassivated edges of the inorganic nanoribbons considered in this study are all robust against edge reconstruction.}
}