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Paper   IPM / Physic / 13999
School of Physics
  Title:   Theory of strain in single layer transition metal dichalcogenides
1.  H. Rostami
2.  R. Rold\'an
3.  E. Cappellut
4.  R. Asgari
5.  F. Guinea
  Status:   Published
  Journal: Phys. Rev. B
  Vol.:  92
  Year:  2015
  Pages:   195402
  Supported by:  IPM
Strain engineering has emerged as a powerful tool to modify the optical and electronic properties of two-dimensional crystals. Here we perform a systematic study of strained semiconducting transition metal dichalcogenides. The effect of strain is considered within a full Slater-Koster tight-binding model, which provides us with the band structure in the whole Brillouin zone. From this, we derive an effective low-energy model valid around the K point of the BZ, which includes terms up to second order in momentum and strain. For a generic profile of strain, we show that the solutions for this model can be expressed in terms of the harmonic oscillator and double quantum well models, for the valence and conduction bands respectively. We further study the shift of the position of the electron and hole band edges due to uniform strain. Finally, we discuss the importance of spin-strain coupling in these 2D semiconductor materials.

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