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Dr. Jia Guan, Prof. Guangtao Yu, Dr. Xiuling Ding, Prof. Wei Chen, Dr. Zhiming Shi, Prof. Xuri Huang and Prof. Chiachung Sun The Effects of the Formation of Stone–Wales Defects on the Electronic and Magnetic Properties of Silicon Carbide Nanoribbons: A First-Principles Investigation ChemPhysChem 14

Version of Record online: 21 JUN 2013 | DOI: 10.1002/cphc.201300097

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Defective by design: On the basis of first-principles density functional theory, Stone–Wales (SW) defects are found to reduce the band gap of armchair-edged silicon carbide nanoribbons (SiCNRs); however, these defects do not alter the energy degeneracy of the ferromagnetic (FM) and antiferromagnetic (AFM) states of zigzag-edged SiCNRs (zSiCNRs), for which metallic/half-metallic and half-metallic behavior can be observed, respectively.

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