Raman and IR Spectroscopy of SnO2 Nanostructures with Oxygen Vacancies: An Ab-Initio Calculations

Recent trend and opportunity in the field of transparent and conducting oxides (TCO) based on creation of gaz sensors devises boosted the research to study the large band gap semiconductors like SnO₂, TiO₂ and ZnO. In particularity, tin oxide SnO₂ semiconductor is an important material of transparent and conducting oxides (TCO). has been studied intensively experimentally and theoretically by many researchers, because of its sensitivity and transparency. Tin oxide SnO₂, in his anatase phase, is a large band gap semiconductor (Eg=3.6eV), with space group   [1]. It has been demonstrated that the presence of oxygen vacancy (VO) has an important effect on the electronic, magnetic and spectroscopic properties. In this context, our investigation subscribed. We present an ab-initio study of Raman and IR spectrum of SnO₂ nanostructures with oxygen vacancies.