Ab initio FP-LAPW study of the semiconductors SnO and SnO2

Structural and electronic properties of tin oxides, SnO and SnO2, were studied using the full-potential linearized-augmented-planewaves method within the local density and the generalized gradient approximations. Internal positional parameters, density of states and the electric-field gradient tensor at Sn sites were calculated. The results for the electronic and structural properties are compared to experimental measurements and with results obtained in different band-structure calculations. (c) 2006 Elsevier B.V. All rights reserved.