Orbital- and band-dependent susceptibility in a π–d hybrid electronic system, (DMe-DCNQI)2Cu

A pi-d hybrid electronic system, (DMe-DCNQI)2Cu, where the pi orbital of the organic molecule, DMe-DCNQI, is strongly hybridized with the d(xy) orbital of Cu, has been studied by N-15 and C-13 NMR at three sites. The analysis of Knight shift, K, and local spin susceptibilities in the pi and d orbitals was carried out separately. The pi and d spin susceptibilities were found to be quite different in magnitude and temperature dependence. Moreover, the Knight shift was separated into those of two constituent bands; a one-dimensional pi: band and a three-dimensional pi-d band. The relative weight of the band susceptibilities is strongly temperature dependent. (C) 2000 Published by Elsevier Science B.V. All rights reserved.