First-Principles Study on Physical Properties of Low-Dimensional Materials beyond Graphene

Project: National Science and Technology CouncilNational Science and Technology Council Academic Grants

Project Details


Enlightened by graphene, the low-dimensional materials beyond graphene have drawn many attentions. Those low-dimensional materials include 2D silicon (silicene) and germanium (germanene), monolayer hexagonal boron nitride (乃-BN), 2-D phosphorus (phosphorene) and metal chalcogenides. Those are expected to have the superior properties of graphene and have an easy tuning character of their electronic properties. The band tuning named the “band engineering” is an important topic for device applications. In addition, the composition of two materials also can tune the physical property, the composition of two nanoscale materials form a quantum heterostructure. Graphene is a semimetal but h-BN is an insulator. As the distinct electronic properties of graphene and h-BN, the compositions of graphene and h-BN are good candidates to tune the electronic properties in the device design. In this three years project, I proposed to investigate the quantum heterostructure by compositing graphene and monolayer h-BN, and the band engineering of silicene and germanene and their nanoribbons by strain, half-metallic, and the magnetic properties of silicene and germanene by chemical modulations. In the first year, the half-metallic, and magnetic properties of silicene and germanene by chemical modulations will be investigated; the band engineering of silicene and germanene will be studied in the second year; the quantum heterostructure of graphene and h-BN will be explored in the third year.

Project IDs

Project ID:PA10601-0594
External Project ID:MOST105-2112-M182-002-MY3
Effective start/end date01/08/1731/07/18


  • half-metallic property
  • band engineering
  • quantum heterostructure
  • first-principles method


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