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By using the first-principles method based on the density functional theory, the magnetism of Al monoatomic chains have been studied. The present calculations show that both the linear and zigzag Al chains can exhibit ferromagnetism. However, the magnetism appears only when the Al chains are elongated. The underlying mechanism has been understood based on the atomic orbital interaction picture, taking into consideration the electronic density of states in combination with the Stoner criteria.
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Keywords:
- magnetism /
- Al atomic chains /
- first-principles calculation
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