Strain engineering of electronic and magnetic properties of Ga2S2 nanoribbons

doi:10.1088/1674-1056/26/5/057102

中国物理B ›› 2017, Vol. 26 ›› Issue (5): 57102-057102.doi: 10.1088/1674-1056/26/5/057102

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Strain engineering of electronic and magnetic properties of Ga₂S₂ nanoribbons

Bao-Ji Wang(王宝基), Xiao-Hua Li(李晓华), Li-Wei Zhang(张利伟), Guo-Dong Wang(王国东), San-Huang Ke(柯三黄)

1 School of Physics and Electronic Information Engineering, Henan Polytechnic University, Jiaozuo 454000, China;
2 MOE Key Labortoray of Microstructured Materials, School of Physics Science and Engineering, Tongji University, Shanghai 200092, China

收稿日期:2016-12-16 修回日期:2017-02-21 出版日期:2017-05-05 发布日期:2017-05-05
通讯作者: San-Huang Ke E-mail:shke@tongji.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11174220 and 11374226), the Key Scientific Research Project of the Henan Institutions of Higher Learning, China (Grant No. 16A140009), the Program for Innovative Research Team of Henan Polytechnic University, China (Grant Nos. T2015-3 and T2016-2), the Doctoral Foundation of Henan Polytechnic University, China (Grant No. B2015-46), and the High-performance Grid Computing Platform of Henan Polytechnic University, China.

Strain engineering of electronic and magnetic properties of Ga₂S₂ nanoribbons

Bao-Ji Wang(王宝基)¹, Xiao-Hua Li(李晓华)¹, Li-Wei Zhang(张利伟)¹, Guo-Dong Wang(王国东)¹, San-Huang Ke(柯三黄)²

1 School of Physics and Electronic Information Engineering, Henan Polytechnic University, Jiaozuo 454000, China;
2 MOE Key Labortoray of Microstructured Materials, School of Physics Science and Engineering, Tongji University, Shanghai 200092, China

Received:2016-12-16 Revised:2017-02-21 Online:2017-05-05 Published:2017-05-05
Contact: San-Huang Ke E-mail:shke@tongji.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11174220 and 11374226), the Key Scientific Research Project of the Henan Institutions of Higher Learning, China (Grant No. 16A140009), the Program for Innovative Research Team of Henan Polytechnic University, China (Grant Nos. T2015-3 and T2016-2), the Doctoral Foundation of Henan Polytechnic University, China (Grant No. B2015-46), and the High-performance Grid Computing Platform of Henan Polytechnic University, China.

摘要/Abstract

摘要：

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 Ga₂S₂NRs in nanoelectronics and optoelectronics.

关键词: density functional theory, Ga₂S₂ nanoribbon, electronic and magnetic properties, strain engineering

Abstract:

Key words: density functional theory, Ga₂S₂ nanoribbon, electronic and magnetic properties, strain engineering

中图分类号: (Density functional theory, local density approximation, gradient and other corrections)

71.15.Mb

73.20.At (Surface states, band structure, electron density of states) 73.21.Ac (Multilayers) 74.20.Pq (Electronic structure calculations)

王宝基, 李晓华, 张利伟, 王国东, 柯三黄. Strain engineering of electronic and magnetic properties of Ga₂S₂ nanoribbons[J]. 中国物理B, 2017, 26(5): 57102-057102.

Bao-Ji Wang(王宝基), Xiao-Hua Li(李晓华), Li-Wei Zhang(张利伟), Guo-Dong Wang(王国东), San-Huang Ke(柯三黄). Strain engineering of electronic and magnetic properties of Ga₂S₂ nanoribbons[J]. Chin. Phys. B, 2017, 26(5): 57102-057102.

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Strain engineering of electronic and magnetic properties of Ga₂S₂ nanoribbons

Strain engineering of electronic and magnetic properties of Ga₂S₂ nanoribbons

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