For Ag-MgNb2O6 (Ag exist only on the surface) is it possible to calculate the electronic properties (Band structure and DOS) with CASTEP?

At first MgNb2O6 (orthorhombic)was synthesized as well as made hybrid compound with Ag deposition (Ag-MgNb2O6).After analyzing Ag was found as a cubic particle on the surface as well as exist in...

15 August 2023 5,698 2 View