Add time:08/08/2019         Source:sciencedirect.com

The layered group Vb ditellurides MTe2 (M=V, Nb, Ta) were intercalated with Cu (a) electrochemically and (b) via an autoclave route, forming new compounds of the compositions CuxVTe2 (x=0.85–0.92), CuxNbTe2 (x=0.78–1.00) and CuxTaTe2 (x=0.79–0.95). While for CuxNbTe2 a composition of x=0.69 was reported by Tremel et al. previously, no Cu intercalation compounds of type CuxVTe2 and CuxTaTe2 are known, to date. In the isotypic compounds, Cu is tetrahedrally coordinated by Te, and is placed between corrugated MTe2-layers. The crystal structures for three selected compositions were refined by Rietveld analysis (Cu0.85VTe2: P21/m, a=6.6713(3)Å, b=3.8689(3)Å, c=7.0693(5)Å, β=107.116(9)°; CuNbTe2: P21/m, a=6.7074(2)Å, b=3.8127(2)Å, c=7.2592(3)Å, β=107.011(4)°; Cu0.89TaTe2: P21/m, a=6.64992(8)Å, b=3.72451(6)Å, c=7.31271(6)Å, β=107.2191(8)°). All intercalated phases show metallic conductivity. Cu0.87VTe2 and CuNbTe2 exhibit Pauli paramagnetism. In Cu0.82TaTe2, the diamagnetic part of the susceptibility dominates over the Pauli contribution, leading to overall diamagnetic behaviour. Calculations on basis of refined structural data were performed using the tight binding linearised muffin tin orbital within the atomic sphere approximation method (TB-LMTO-ASA). Even though shorter CuCu distances (2.48–2.55 Å) than in elemental Cu (2.56 Å) are present in all three compounds, calculated electron localisation function plots (ELF) indicate solely covalent bonding interactions between M and one type of Te.

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