NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2020, 11 (5), P. 546–552
Stability and electronic properties of ZnSe nanowires: An ab initio approach
Sanjay Prakash Kaushik – School of Basic & Applied Sciences, G. D. Goenka University, Gurugram – 122103, India
Satyendra Singh – Department of Physics, Seth G. B. Podar College, Nawalgarh – 333042, India; firstname.lastname@example.org
Ram-Krishna Thakur – School of Basic & Applied Sciences, G. D. Goenka University, Gurugram – 122103, India
The presented work revolves around exploration of the structural dependence of electronic properties of zinc selenide nanowire. For this purpose the shapes under consideration are 2_atom_linear_wire, 2_atom_zigzag_wire, 4_atom_square_wire and 6_atom_hexagonal_wire for zinc selenide. ABINIT code has been used for the study. The band structure, geometrical optimization and stability of proposed structures have been studied. A 4_atom_square_nanowire structure has come out to be comparatively more stable than other proposed structures while the findings of the study for band structure reveals that zinc selenide nanowires may have conducting, semi conducting or insulating nature which depends on the proposed geometry of the nanowire.
Keywords: zinc selenide nanowires, band structure, electronic properties, density function theory.