Journal
EUROPEAN PHYSICAL JOURNAL B
Volume 79, Issue 2, Pages 197-202Publisher
SPRINGER
DOI: 10.1140/epjb/e2010-10627-5
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Funding
- State Key Development for Basic Research of China [2004CB619302]
- National Natural Science Foundation of China [51071098]
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Under the generalized gradient approximation (GGA), the electronic and magnetic properties are studied for H-terminated zigzag edge Si nanoribbon (ZSiNR) decorated with a single C chain by using the first-principles projector augmented wave (PAW) potential within the density function theory (DFT) framework. The results show that either a perfect ZSiNR or a single C chain decorated ZSiNR, the ferromagnetic state is preferred over the antiferromagnetic state. But a single C chain decorated ZSiNR is more stable than the perfect one. Furthermore, the electronic and magnetic properties of a ZSiNR can be modulated in detail by a single C chain at different positions.
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