Scientific article
English

Positron 2D-ACAR in TTF-TCNQ

Published inJournal of Physics and Chemistry of Solids, vol. 56, no. 12, p. 1955-1956
Publication date1995
Abstract

We present the first results of a positron two-dimensional angular correlationof annihilation radiation (2D-ACAR) experiment on a typical organic conductor tetrathiofulvalinium tetracyanoquinodimethan (TTF-TCNQ). Although the observed spectrum is relatively smooth, we have succeeded inextracting the anisotropy reflecting the electronic structure of TTF-TCNQ. In order to clarify the origin of the anisotropy, we have performed theoretical simulations. Electron wave functions are expressed as TTF or TCNQ molecular orbitals obtained by self-consistent quantum chemical calculations (GAUSSIAN92) while the positron wave function is calculated by the superposed atom method. The simulated 2D-ACAR spectrum is in reasonable agreement with the experimental one. This implies that the predominant features observed can be interpreted in terms of molecular orbitals.

Citation (ISO format)
ISHIBASHI, Shoji, MANUEL, Alfred-Adrien, HOFFMANN, Ludger. Positron 2D-ACAR in TTF-TCNQ. In: Journal of Physics and Chemistry of Solids, 1995, vol. 56, n° 12, p. 1955–1956. doi: 10.1016/0022-3697(95)00104-2
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Journal ISSN0022-3697
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