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用余氏金属价键理论计算了Fcc基有序Al-Li金属间化合物的键参量和原子间成键的电荷偏移量。结果表明:要形成较强的Al-Li键,Al原子将偏移部分共价电子给Li原子用于共价成键,而这一过程中Al原子的外层电子状态并没有明显的改变。
The bond parameters of the Fcc-based ordered Al-Li intermetallic compounds and the charge offset of intermetallic bonds were calculated using the Yu’s metallic bond theory. The results show that to form strong Al-Li bonds, Al atoms will shift part of the covalent electrons to Li atom for covalent bonding, and the outer electron state of Al atoms does not change obviously in this process.