Electronic Properties of YBa2Cu3O7 Using Pseudopotential-Density Functional Approach with Lda and Ggc

The electronic properties of YBa₂Cu₃O₇ have been investigated by the total energy - pseudopotential method within the local density approximation (LDA) with and without including generalized gradient corrections (GGC). We have used the Perdew-Wang II GGC. The band structure, density of states and charge density of YBa₂Cu₃O₇ have been calculated. In calculation of total energy, the equilibrium lattice parameters and ion positions are used from experimental data. The results are compared with other approaches such as LAPW, LCAO and LMTO for this system. The overall shape of the band structure, density of states and charge density are same as the other works. However, in details, like other approaches, there are some differences. Considering our accuracy, the differences in results for LDA and GGC approaches are small.