A theoretical analysis of the CdS/Bi2Sr2Ca2Cu3O10 interface

Highlights: • We present for the first time a theoretical study of the CdS/Bi₂Sr₂Ca₂Cu₃O₁₀(Bi₂₂₂₃) interface using the modified BeckeJohnson (mBJ) potential within the framework of the Density Functional Theory. • We found that the semiconductor side is the more affected in the interface. The calculations show a slightly metallic character in Cd plane. - Abstract: In this paper, we calculated the electronic band structure of CdS/Bi₂Sr₂Ca₂Cu₃O₁₀ interface using the modified BeckeJohnson (mBJ) potential as in the Wien2K code. We determined the most important changes and effects in the electronic properties on the planes around of the interface, by comparing them to those of the crystalline bulk Bi₂Sr₂Ca₂Cu₃O₁₀ and of those of cubic CdS semiconductor, respectively. We found that the semiconductor side is the more affected in the interface. Also, our calculations show a slightly metallic character in Cd plane.