Strain engineering of electronic and magnetic properties of Ga2S2 nanoribbons

• Published in: 中国物理B：英文版 2017-05, Vol.26 (5), p.326-332
• Main Author: 王宝基 李晓华 张利伟 王国东 柯三黄
• Format: Article
• Language: English
• Subjects: 工程; 拉伸应变; 电子结构; 磁性质; 第一原理计算; 纳米带; 纳米电子学; 调谐性能
• ISSN: 1674-1056; 2058-3834
• DOI: 10.1088/1674-1056/26/5/057102

Using first-principles calculations, we study the tailoring of the electronic and magnetic properties of gallium sulfide nanoribbons（Ga2S2NRs） by mechanical strain. Hydrogen-passivated armchair-and zigzag-edged NRs（ANRs and ZNRs）with different widths are investigated. Significant effects in band gap and magnetic properties are found and analyzed. First,the band gaps and their nature of ANRs can be largely tailored by a strain. The band gaps can be markedly reduced, and show an indirect-direct（I-D） transition under a tensile strain. While under an increasing compressive strain, they undergo a series transitions of I-D-I-D. Five strain zones with distinct band structures and their boundaries are identified. In addition,the carrier effective masses of ANRs are also tunable by the strain, showing jumps at the boundaries. Second, the magnetic moments of（ferromagnetic） ZNRs show jumps under an increasing compressive strain due to spin density redistribution,but are unresponsive to tensile strains. The rich tunable properties by stain suggest potential applications of Ga2S2 NRs in nanoelectronics and optoelectronics.