• 文献标题:   Tuning the electronic properties of armchair graphene nanoribbons by strain engineering
  • 文献类型:   Article
  • 作  者:   NGUYEN CV, IIYASOV VV, NGUYEN HN
  • 作者关键词:   graphene nanoribbon, uniaxial strain, dft
  • 出版物名称:   PHYSICA SCRIPTA
  • ISSN:   0031-8949 EI 1402-4896
  • 通讯作者地址:   Don State Tech Univ
  • 被引频次:   8
  • DOI:   10.1088/0031-8949/90/1/015802
  • 出版年:   2015

▎ 摘  要

Atomic and electronic properties of armchair graphene nanoribbons under uni-axial strain are studied by ab initio calculations. Calculations for 5-, 6- and 7-armchair graphene nanoribbons show that at the equilibrium state, the difference in bond lengths in each ribbon is about 0.65 nm. The total energy of AGNRs depends on the strain direction (namely, armchair or zigzag) and is inversely proportional to the nanoribbon width. When the uni-axial strain along armchair or zigzag directions is individually applied, the change in the ribbon band gap can be described as a zigzag pattern with the appearance of the semiconductor-metal-semiconductor phase transition. As a result, deformed AGNRs are becoming a promising material for applications in nanoelectromechanical devices.