The Electronic Structure Calculation of Some quaternary alloys by the recursion method

The Electronic Structure Calculation of Some quaternary alloys by the recursion method

Zajel / An-Najah National University

Rezek Mahmoud Saleem Estaiteh In this work, the recursion inethod is used to study the electronic structure of some III- V quaternary alloys. A five orbitals, SP3S, per atom is used in the tight binding representation of the hamiltonian. The Local Density of States, Integrated Density of States and the Structural energy have been calculated at each element in the alloy in a cluster of 1728 atoms. Three terminators have been tested and it is found that the linear terminator due to Vargas gives the best results, so it is used in all the calculations. The results of this work are found to be in good agreement when compared with other calculations. Rezek Mahmoud Saleem Estaiteh Supervisor Dr. Musa EI-Hasan 1999