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Citation: Zhu Hong-Yao, Jiang Yuan-Sheng. Cluster-Bethe-Lattice Model for Infinite Lattice Systems[J]. Acta Physico-Chimica Sinica, ;1993, 9(04): 473-477. doi: 10.3866/PKU.WHXB19930410 shu

Cluster-Bethe-Lattice Model for Infinite Lattice Systems

1.
Institute of Theoretical Chemistry, Jilin University, Changchun 130023; Department of Chemistry, Nanjing University, Nanjing 210008

Received Date: 25 January 1992
Available Online: 15 August 1993

For infinite lattice systems, we choose one atom as a reference point. Then one can remove a small cluster which contains the atom such that every atom in the cluster is part of at least one ring passing through the reference atom. A Bethe lattice is now introduced and connected to surface atom to simulate the effect of the rest of original system. Based on cluster-Bethe lattice model, we have calculated the energy of stabilization of SC, BCC and FCC and showed that BCC lattice is the stablest one at half-filled band so that it is indicated why simple substance crystals of column IA and VIB in periodic table are BCC structures.
- Cluster-Bethe-lattice; Local density of state; Stabilization
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