  Employing density functional theory based calculations, we investigate
structural, vibrational and strain-dependent electronic properties of an
ultra-thin CdTe crystal structure that can be de- rived from its bulk
counterpart. It is found that this ultra-thin crystal has an 8-atom primitive
unit cell with considerable surface reconstructions. Dynamic stability of the
structure is predicted based on its calculated vibrational spectrum. Electronic
band structure calculations reveal that both electrons and holes in single
layer CdTe possess anisotropic in-plane masses and mobilities. Moreover, we
show that the ultra-thin CdTe has some interesting electromechanical features,
such as strain-dependent anisotropic variation of the band gap value, and its
rapid increase under per- pendicular compression. The direct band gap
semiconducting nature of the ultra-thin CdTe crystal remains unchanged under
all types of applied strain. With a robust and moderate direct band gap,
single-layer CdTe is a promising material for nanoscale strain dependent device
applications.
