Thallium NMR study of the chain semiconductor TlTaS_3

摘要

We report a study of the ~(203)Tl and ~(205)Tl Nuclear Magnetic Resonance of the ternary semiconductor TlTaS_3 that shows a chain structure. Our measurements show noticeable intra-chain (Tl-Tl) and inter-chain (Tl-Ta) indirect nuclear spin-spin interactions. These couplings result from the overlap of the Tl and Ta electron wave functions across the intervening S atom, in contrast with the expected 1D-behavior of the compound. The experimental results are in good agreement with the calculated electronic band structure. The role of the 6s~2 electron pair of Tl in interatomic interactions is discussed.