Tuning Magnetism and Electronic Phase Transitions by Strain and Electric Field in Zigzag MoS2 Nanoribbons

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• 作者：Liangzhi Kou ; Chun Tang ; Yi Zhang ; Thomas Heine ; Changfeng Chen ; Thomas Frauenheim
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2012
• 出版时间：October 18, 2012
• 年：2012
• 卷：3
• 期：20
• 页码：2934-2941
• 全文大小：488K
• 年卷期：v.3,no.20(October 18, 2012)
• ISSN：1948-7185

文摘

Effective modulation of physical properties via external control may open various potential nanoelectronic applications of single-layer MoS₂ nanoribbons (MoS₂NRs). We show by first-principles calculations that the magnetic and electronic properties of zigzag MoS₂NRs exhibit sensitive response to applied strain and electric field. Tensile strain in the zigzag direction produces reversible modulation of magnetic moments and electronic phase transitions among metallic, half-metallic, and semiconducting states, which stem from the energy-level shifts induced by an internal electric polarization and the competing covalent/ionic interactions. A simultaneously applied electric field further enhances or suppresses the strain-induced modulations depending on the direction of the electric field relative to the internal polarization. These findings suggest a robust and efficient approach to modulating the properties of MoS₂NRs by a combination of strain engineering and electric field tuning.

Keywords:

MoS₂ nanoribbon; tunable magnetism; electronic phase transition