We report an NMR study of electronic structure and wave functions overlap in the chain modification of semiconductor TlS which comprises two kinds of Tl atoms, Tl1+ and Tl3+, residing in neighboring chains. Both univalent and trivalent Tl atoms show essential chemical shielding anisotropy despite of their 5d10 6s2 and 5d10 electron configurations. Such a behavior, along with the significant indirect exchange coupling of thallium nuclei obtained in our experiment, results from sp-hybridization of Tl electron wave functions and their overlap across the intervening S atoms. The aforementioned wave function overlap is expected to be the dominant mechanism in the formation of the valence and conduction bands in TlS and to determine the electronic structure of the compound.
- Low-dimensional structures
- Nuclear resonances