Acta Phys. -Chim. Sin. ›› 1993, Vol. 9 ›› Issue (04): 473-477.doi: 10.3866/PKU.WHXB19930410

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Cluster-Bethe-Lattice Model for Infinite Lattice Systems

Zhu Hong-Yao; Jiang Yuan-Sheng   

  1. Institute of Theoretical Chemistry, Jilin University, Changchun 130023; Department of Chemistry, Nanjing University, Nanjing 210008
  • Received:1992-01-25 Revised:1992-05-19 Published:1993-08-15
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Abstract: 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.

Key words: Cluster-Bethe-lattice, Local density of state, Stabilization