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.