Doping WS<sub>2</sub> armchair nanoribbons with transition metals

ORAL

Abstract

Armchair WS2 nanoribbons are semiconductors with band gaps close to 0.5 eV. When a W atom is replaced by a transition metal, impurity states can have tremendous effect on the overall electronic structures. By using first-principles calculations based on density functional theory, we investigated substitutional of Ti, V, Cr, Mn, Fe, Co for WS2 ribbons of different widths. We found that Fe-doped ribbons have two-channel conduction separately in the middle part of the ribbon and at the edges. Co-doped ribbons are turned in to spin filters, having 100% spin-polarized conductions. These results should be useful for nano-electronic circuit design.

*supported in part by the National Science Council of the Republic of China under grant number MOST 108-2112-M-004-001.

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Presenters

  • Chih-Kai Yang

    • Graduate Institute of Applied Physics, National Chengchi University, Taipei, Taiwan, ROC

Authors

  • Yan-Hong Chen

    • Department of Electrophysics, National Chiao Tung University, Hsinchu, Taiwan, ROC.

  • Chi-Hsuan Lee

    • Graduate Institute of Applied Physics, National Chengchi University, Taipei, Taiwan, ROC

  • Shun-Jen Cheng

    • Department of Electrophysics, National Chiao Tung University, Hsinchu, Taiwan, ROC.

  • Chih-Kai Yang

    • Graduate Institute of Applied Physics, National Chengchi University, Taipei, Taiwan, ROC