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固态镓的电子结构

The electronic structures of solid gallium have been calculated by ab-initio moleculardyna-mics, the results are good in agreement with experiments. The results show that β-Ga, Ga-Ⅱ, fcc-Ga are metallic-like, but in α-Ga there is a covalent bond existing between the nearest neighbours. The phase stability of solid gallium has been also discussed.

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