Three terminators have been tested, square root terminator, quadreture terminator and linear terminator, it was found that the linear terminator is the best, so it was used in calculating local density of states (LDOS) and it's orbital decomposition, alloy average density of states, and energy gap for different anion concentrations for InP lattice matched alloy. The results were compared with our previous calculations of (LDOS), and results from other methods. Energy gap was compared with experimental measurements. A five orbital sp3s* per atom model was used in the tight-binding representation of the Hamiltonian.

Modern Physics Letters B (MPLB) 

Year: 2004 Vol: 18 Issue: 18 (10 August 2004) Page: 955 - 962

http://dx.doi.org/10.1142/S0217984904007463