Influence of bond valence on bond covalency in calcium doped lanthanum chromite

Abstract

Theinauenceofbondvalenceonbondcovale~inLal.,Ca,~(1:=O.0, 0.1, 0.2, 0.3) has been studied by using semiempirical method. This methcd is the extermion of the dielechic description theory pmpoeed by phiulps, Van Vechten, Levine and Tanaka ( PWT) . In the c a l c~o n of bond valence, two schemes were adopted. The fimt is the equal-valence scheme, and the second is Bond Valence Sums (BVS) scheme. Bath schemea suggest that for the title compound bond covalency be mainly influenced by bond valence, and insensitive to the GI doping level. G e n e d y spealang, larger bond valences usually result in higher bond covalencies.Bond covalency, bond valence, Ial.,Ca,Cr@, semiempirical method