Lattices parameter dependent on effective atomic interactive coefficient in nanostructure

The usage of thick silicon substrates is widespread in electronic industries todays, silicon is the most important material in the semiconductor industries due to its excellent electrical, mechanical and chemical properties. Due to it being inert at room temperature and having anisotropic properties (electrical, mechanical chemical), silicon plays an important role in micro-electro-mechanical systems (MEMS) application. However, atomic interaction becoming complicated as the number of electrons increases. Atomic interaction beyond the hydrogen atom is indeed complex but quite possible by Schrodinger equation. Therefore, combination of models to explain atomic interaction via density functional theory, Kohn Sham and generalized gradient approximation is proposed. It its expected that the SiNW will show band gap transition with the decreasing size and the band gap properties under inter atomic stress. With this, it is possible to determine the atomic structure of nanowire fundamental behavior. Thus, Based on DFT calculation on nanowre, the charge localization inside the nanowire is expected to reveal the electrons activities of the device and the quantum confinement regime for quasi-direct elastic behaviors and in order to verify the device capability, it will be subjected computational model for the detection of carcinoma molecule.