Structural, Energetic, and Mechanical Properties of ZnSe Nanotubes

We present results of our theoretical calculations on the structural, energetic, and mechanical properties of ZnSe nanotubes. We have calculated the strain energy, buckling, band gap, and Young modulus for both zigzag and armchair nanotubes and have studied their variation with tube radius. We have also studied the effect of flattening on the band gap values for both zigzag and armchair nanotubes. Our study predicts that the flattening may cause possible semiconductor to metal transition in ZnSe nanotubes.