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出 处:《Chinese Journal of Chemistry》1999年第2期108-113,共6页中国化学(英文版)
基 金:Project supported by Laboratory of Rare Earth Chemistry and Physics and Applied Chemistry Research Centre of Changchun, China
摘 要:The influence of bond valence on bond covalence in Lal-xCaxCrO3(x = 0.0, 0.1, 0.2, 0.3) has been studied by using semi empirical method. This method is the extortion of the dialectic description theory proposed by Phillips, Van Vetches, Levine and Tanaka (PVLT). In the calculation of bond valence, two schemes were adopted. The first is the equal-valence scheme, and the second is Bond Valence Sums (BVS) scheme. Bath schemes suggest that for the title compound bond covalence be mainly influenced by bond valence, and insensitive to the Ca doping level. Generally speaking, larger bond valences usually result in higher bond covalence's.The influence of bond valence on bond covalence in Lal-xCaxCrO3(x = 0.0, 0.1, 0.2, 0.3) has been studied by using semi empirical method. This method is the extortion of the dialectic description theory proposed by Phillips, Van Vetches, Levine and Tanaka (PVLT). In the calculation of bond valence, two schemes were adopted. The first is the equal-valence scheme, and the second is Bond Valence Sums (BVS) scheme. Bath schemes suggest that for the title compound bond covalence be mainly influenced by bond valence, and insensitive to the Ca doping level. Generally speaking, larger bond valences usually result in higher bond covalence's.
关 键 词:Bond covalence bond valence Lal-xCaxCrO3 semi empirical method
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