Adatom-induced local reconstructions in zigzag silicene nanoribbons: Spin semiconducting properties and large spin thermopowers

作者：Yang, X. F.; Zou, X. L.; Kuang, Y. W.^*; Shao, Z. G.; Zhang, J.; Hong, X. K.; Zhang, D. B.; Feng, J. F.; Chen, X. S.; Liu, Y. S.

来源：Chemical Physics Letters, 2017, 667: 113-119.

DOI：10.1016/j.cplett.2016.11.049

• Zigzag silicene nanoribbons
• Spin semiconducting properties
• Thermospin effects
• First-principles methods

Using first-principles methods, we have investigated magnetic properties and thermospin effects of zigzag silicene nanoribbons (ZSiNRs) absorbed by a single Si atom. After a relaxation, a steady dumbbell-like structure is formed, which induces a weaker antiferromagnetic (AFM) coupling between two zigzag edges. Therefore, a band gap is opened, meanwhile the adsorbed ZSiNRs show a spin semiconducting property. A large spin thermopower and weak charge thermopower in adsorbed ZSiNR-based devices can be simultaneously achieved, which is attributed to a nearly perfect mirror symmetry of spin-up and spin-down transmission spectra relative to the Fermi level.

• 出版日期2017-1
• 单位常熟理工学院; 中国科学院上海技术物理研究所