Structure of rutile TiO2 (110)-(1 x 2): formation of Ti2O3 quasi-1D metallic chains.

ABSTRACT

Combining STM, LEED, and density functional theory, we determine the atomic surface structure of rutile TiO2 (110)-(1 x 2) nonstoichiometric Ti2O3 stripes along the [001] direction. LEED patterns are sharp and free of streaks, while STM images show monatomic steps, wide terraces, and no cross-links. At room temperature, atoms in the Ti2O3 group have large amplitudes of vibration. The long quasi-1D chains display metallic character, show no interaction between them, and cannot couple to bulk or surface states in the gap region, forming good atomic wires.