The density of states and spectral function in amorphous Si obtained using the equation of motion method in k-space

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Abstract
The authors show how the equation of motion method for solving Schrodinger's equation numerically may be employed in k-space and present calculations of the density of states and spectral function for fully bonded models of amorphous Si containing 216 atoms. The magnitude of the 'gap' in the density of states depends sensitively on the strength of the pseudopotential and the structure. The method provides a simple method for investigation of the effect of defects in amorphous semiconductors and may also be used to look at individual energy levels. This method has considerable potential for the investigation of electron conduction in the vicinity of the gap in the density of the states and for self-consistent calculations.