title: Tuning Magnetism and Electronic Phase Transitions by Strain and Electric Field in Zigzag MoS2 Nanoribbons.
abstract: 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.
authors: †Bremen Center for computational Materials Science, University of Bremen, Am Falturm 1, 28359, Bremen, Germany.
authors: Liangzhi
authors: L
authors: Kou
authors: ‡Department of Physics and Astronomy and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154, United States.|§School of Engineering, University of California, Merced, California 95343, United States.
authors: Chun
authors: C
authors: Tang
authors: ‡Department of Physics and Astronomy and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154, United States.
authors: Yi
authors: Y
authors: Zhang
authors: ∥School of Engineering and Science, Jacobs University Bremen, 28759 Bremen, Germany.
authors: Thomas
authors: T
authors: Heine
authors: ‡Department of Physics and Astronomy and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154, United States.
authors: Changfeng
authors: C
authors: Chen
authors: †Bremen Center for computational Materials Science, University of Bremen, Am Falturm 1, 28359, Bremen, Germany.
authors: Thomas
authors: T
authors: Frauenheim
keywords: MoS2 nanoribbon; electronic phase transition; tunable magnetism