【摘要】 采用ＣＮＤＯ／２量子化学计算方法，研究了Ｙ－Ｂａ－Ｃｕ－Ｏ熟粉及生粉的化学成键特征。计算表明，ＹＢａ＿２Ｃｕ＿３Ｏ＿（７－δ）高温超导相形成后，其中各化学键发生变化，化学键的反应活性趋于平均化。因此，Ｙ－Ｂａ－Ｃｕ－Ｏ熟粉可以与油酸发生均匀化学反应，得到的膏状物能用来焊接高ＴｃＹＢＣＯ超导线材及器件。更多还原

【Abstract】 The bonding characteristics ofYBa₂Cu₃O_7-δ and YBa₂Cu₃O_6.5 are studied with CN-DO/2 quantum chemical method.Calculations showthat the chemical activities of Y-O,Ba-O and Cu-Otend to be similar when the high-Tc superconducting phase of YBa₂Cu₃O_7-δ is formed.Therefore,hornogeneous reaction of oleic acid andYBa₂Cu₃O_7-δoccurs with the resulting paste beingused to joint the broken prtqctical YBCO superconducting wires or devices.更多还原