In this paper, we present Continuous Multiple Center(CMC) d-p πbond in TS_2 slabs on the basis of Extended Huckle calculation for incommensurate misfit compounds (MS)_xTS_2(where M=Pb, Sn and La; T=V,Nb,Ta, Cr), and ...In this paper, we present Continuous Multiple Center(CMC) d-p πbond in TS_2 slabs on the basis of Extended Huckle calculation for incommensurate misfit compounds (MS)_xTS_2(where M=Pb, Sn and La; T=V,Nb,Ta, Cr), and put forwards the trigonal prismatic coordination CMC d-p π conductive model. According to this model the conductivity of (MS)_xTS_2 series and the similarity between (MS)_xTS_2 and Na_xTS_2 series compounds in metallic behaviors can be explained successfully. Some relations between metallic behaviors and CMC d-p π bond (or band) are found.展开更多
文摘In this paper, we present Continuous Multiple Center(CMC) d-p πbond in TS_2 slabs on the basis of Extended Huckle calculation for incommensurate misfit compounds (MS)_xTS_2(where M=Pb, Sn and La; T=V,Nb,Ta, Cr), and put forwards the trigonal prismatic coordination CMC d-p π conductive model. According to this model the conductivity of (MS)_xTS_2 series and the similarity between (MS)_xTS_2 and Na_xTS_2 series compounds in metallic behaviors can be explained successfully. Some relations between metallic behaviors and CMC d-p π bond (or band) are found.