Bond orbital model with microscopic interface effects

Chun Nan Chen, Yeong Her Wang, Mau Phon Houng, Jih Chen Chiang

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)


The interface perturbations at the atomic scale are neglected in the bond orbital model (BOM) due to the unit-cell-scale orbitals. This makes the breakdown of the higher symmetry Hamiltonian of BOM used for calculating the microscopic interface phenomena. To improve this problem, we introduce the intracell effects into the BOM by expanding the BOM basis in terms of the tetrahedral (anti)bonding orbitals and using the potential operator instead of the Scalar potential for the extraction of the microscopic information. The modified BOM method provides the direct insight into the microscopic symmetry of the crystal chemical bonds in the vicinity of the heterostructure interfaces. It indicates more physical meanings and easier manipulations than the other methods in the mathematical calculations to discuss the symmetry breaking phenomena. The InAs-GaSb superlattice as an example can support the proposed model well.

Original languageEnglish
Pages (from-to)36-41
Number of pages6
JournalJapanese Journal of Applied Physics
Issue number1
Publication statusPublished - 2002

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physics and Astronomy(all)


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