Abstract
AbstractAn investigation of TiS2 electronic structure was conducted using a first‐principles calculation based on density functional theory (DFT). The results showed that there is indirect S3p ‐Ti3d band overlaps in ground electronic structure of TiS2. The measurements of resistivity and Hall effect were used to characterize the electrical transport behavior of TiS2 under ground state. Both theoretical and experimental results supported that TiS2 within ground state is a semimetal (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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