LMTO-ASA-VCA Method far Calculating Band Structure of Semiconductor Alloys
Wang Renzhi Huang Meichun (Dept. of physics)
Based on the distingush ed feature of the all-electron LMTO-ASA method, a LMTO ASA Virtual Crystal Approximation (VCA) method for calculating band structure of semiconductor alloy is suggested and applied to the Ga1. xA1xAs system. It is found that the compositional dependence of band structure, density of states and bowing parameter clearly shows the basic feature of the VCA. The sum of valence electronic energies in alloy and the valency charge contained in the ASA spheres are found to be linearly dependent on compositional factors. Therefore, the LMTO-ASA-VCA Method is reasonable
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