Optical and electrical-transport studies on lithium-intercalatedTiS2

Electric field gradient calculations forLixTiS2and comparison withLiBredow1, Heitjans2, Wilkening3 2004Phys. Rev. B936870View full textAdd to dashboardCite

“…1 −1͒ (valid for q =0) between the satellite peaks or from the separation of the outer wings. In addition, we recorded hightemperature 7 Li NMR spectra up to 723 K. For instance, C q is 32.4͑2͒ kHz at 673 K and thus shows a small increase between 293 K and 673 K.…”

“…The lithium intercalated hexagonal TiS 2 samples used here for supplementary measurements of 7 Li NMR spectra are identical to those used for frequency dependent 7 Li NMR relaxation studies 4 by our group before. The intercalation was done chemically with n-butyl lithium in hexane.…”

“…[1][2][3] It is stable in the entire intercalation range 0 Ͻ x ഛ 1. h-Li x TiS 2 is a fast two-dimensional lithium ion conductor 2,4 and shows semimetallic properties. [5][6][7] Recently, also the lithium intercalation in open-ended TiS 2 nanotubes 8 and the Li dynamics in nanocrystalline h-Li x TiS 2 has been studied. [9][10][11] The Li/ TiS 2 system has attracted considerable attention from theorists.…”

“…The theoretical results obtained with density functional and Hartree-Fock hybrid methods were compared with experimental field gradients extracted from 7 Li NMR spectra from the literature and from our measurements presented here. The dependence of calculated field gradients on the basis set and the explicit form of the exchange-correlation density functional was investigated.…”

Large thermoelectric power factor inTiS2crystal with nearly stoichiometric composition

“…Transport properties of TiS 2 2 are strongly affected by its large off-stoichiometry. [11][12][13][14][15] were measured by the van der Pauw and Montgomery methods, respectively, using a lock-in technique in the temperature range from 4 to 300 K. Thermopower in this temperature range was measured by the conventional constant-∆T method. In-plane Hall resistivity up to 2 T was measured in the van der Pauw configuration by applying the magnetic field normal to the c-plane in the temperature range from 5 to 300 K. In-plane and out-of-plane thermal conductivities at room temperature were measured by the AC thermal diffusivity and the laser flush methods, respectively.…”