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First-principles calculations for CdSe and CdTe nanostructures were carried  out to study their mechanical properties and band structure under the  uniaxial pressure range of 0 to 50GPa. It was presumed that the CdSe and  CdTe nanostructures exist in the zinc-blende phase under high pressure. The  mechanical properties, such as elastic constants, bulk modulus, shear  modulus and Young’s modulus, were explored. Furthermore, Cauchy pressure,  Poisson’s ratio and Pugh’s criterion were studied under high pressure for  both CdSe and CdTe nanostructures, and the results show that they exhibit  ductile property. The band structure studies of CdSe and CdTe were also  investigated. The findings show that the mechanical properties and the band  structures of CdSe and CdTe can be tailored with high pressure.

Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure - a first-principles study