Multicapas TiN/GaN: Un Estudio Ab Initio

The Linearized Augmented Plane Waves method within Density Functional Theory (DFT) has been used to analyze the structural and electronic properties of 1x1 TiN/GaN multilayer in NaCl structure. The exchange and correlation effects were treated using the Generalized Gradient Approximation (GGA) of Perdew, Burke and Ernzerhof. The structural parameters of multilayer were calculated. We have found that TiN/GaN multilayer present metallic behavior, making this compound a good candidate for a possible metal/semiconductor contact.