Study of Electronic and Dynamical Properties of Selenium Nanowires using Quantum Mechanic s Method

The great interest in one-dime nsional nanostructure such as nanotubes and n anowires is partly due to the possibility of their being used as active com ponent in nanosize devices. Altho ugh, carbon nanotubes and carbon nanowires are an interesting material, sele nium nanow ires also have special c haracteristics. Selenium is an important semiconductor due to its uniqu e propertie s, such as high photo conductivity, low meltin g point and nonlinear optical responses, so it has applicati ons in a vast area including; xerogra phy, photoc ells, photovo ltaic cell, re ctifiers, etc. In this work, we calculated optical (optical conductiv ity), dynamical (vibrational spectra ) and electr onic properties (density of state, band structure a nd conduct ivity) of sele nium nanow ires.

کلیدواژه ها:

electro nic properties ، seleniu m nanowires ، density of states ، ab-initio MD