BAND CALCULATION OF $\beta$-PHTHALOCYANINE CRYSTAL.

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1968

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Ohio State University

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Abstract

The band structures for an excess electron and an excess hole in the $\beta$-phthalocyanine crystal were calculated by using molecular orbitals of the anion and cation radicals. In the band calculation simple formulas were introduced to evaluate the exchange penetration integrals between carbon and nitrogen. The band widths were found to be less than kT.

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Author Institution: Department of Physics, The Ohio State University

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