Faculté des sciences

Doping nature of native defects in 1T−TiSe₂

Hildebrand, Baptiste ; Didiot, Clément ; Novello, A. M. ; Monney, Gaël ; Scarfato, A. ; Ubaldini, A. ; Berger, Helmuth ; Bowler, D. R. ; Renner, Christoph ; Aebi, Philipp

In: Physical Review Letters, 2014, vol. 112, no. 19, p. 197001

The transition-metal dichalcogenide 1T−TiSe₂is a quasi-two-dimensional layered material with a charge density wave (CDW) transition temperature of TCDW≈200 K. Self-doping effects for crystals grown at different temperatures introduce structural defects, modify the temperature-dependent resistivity, and strongly perturbate the CDW phase. Here, we study the structural and doping nature... More

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    Summary
    The transition-metal dichalcogenide 1T−TiSe₂is a quasi-two-dimensional layered material with a charge density wave (CDW) transition temperature of TCDW≈200  K. Self-doping effects for crystals grown at different temperatures introduce structural defects, modify the temperature-dependent resistivity, and strongly perturbate the CDW phase. Here, we study the structural and doping nature of such native defects combining scanning tunneling microscopy or spectroscopy and ab initio calculations. The dominant native single atom dopants we identify in our single crystals are intercalated Ti atoms, Se vacancies, and Se substitutions by residual iodine and oxygen.