Effect of B, Al and Ga Impurities on Structural, Electrical and Optical Properties of BeO Nanotube

A branch of optic that explain the nonlinear properties of dielectric polarization P as function of electric field E is well known as NLO optics. Nonlinear optical materials have been the subject of intense research in the past decades because of their potential applications in technological applications such as optical switching, signal processing, information storage, optical communication, laser technology, chemical and biological species detection [1,2]. In this research the structure, electrical and optical properties of BeO and M@BeO (M=B, Al and Ga) were calculate to explore the effect of B, Al and Ga atoms in BeO nanotube properties. As the result it was shown that in presence of B, Al and Ga impurities, the Eg of BeO nanotube was reduced. Reduction in Eg is more considerable for B case. In continue, the polarizability of pristine and doped BeO nanotubes was calculated and it was shown that the polarizability of it slightly increases by these doping. Finally, the hyper polarizability of pristine and B, Al and Ga doped BeO nanotubes were calculated and interestingly it was illustrated that the doping of impurity in nanotubes increases its hyper polarizability to more than hundred time of pristine values. Additionally slightly more increase in hyperpolarizability was seen in Ga doping.