Effect of Oxygen Vacancies on the Electronic Structure of La2-xMxCuO4-y
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The band structure of La2-xMxCuO4 has been calculated using a semiempirical tight-binding Hamiltonian and the virtual crystal approximation. The results are similar for Ba, Sr, and Ca (as the metal M), and for all small values of x. When oxygen vacancies are introduced on the 01 site (short bond), there is a dramatic effect on the electronic structure for veck along the line of the Brillouin zone. Vacancies on the 02 site (long bond) are found to have relatively little effect on the electronic structure. 1987 The Japan Society of Applied Physics.