@article{384, keywords = {DFT-LDA, oxide, cohesion, pseudo-potential, paper}, author = {M Meyer and G Onida and A Ponchel and Lucia Reining}, title = {Electronic structure of stannous oxide}, abstract = {We present an ab initio study of the electronic structure of SnO. Density functional theory in the local density approximation (DFT-LDA) is used in conjunction with carefully tested smooth pseudopotentials. Total energies and charge densities are calculated and analysed as a function of the atomic geometry, with a particular emphasis on the importance of low-charge-density contributions to the interlayer cohesion. SnO2 has already been studied in the past and is used for comparison, Copyright (C) 1998 Elsevier Science B.V.}, year = {1998}, journal = {Comp. Mat. Science}, volume = {10}, number = {1-4}, pages = {319-324}, month = {FEB}, publisher = {European Mat Res Soc}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, note = {Symposium on Computational Modeling of Issues in Materials Science at the International Conference on Applied Materials / European-Materials-Research-Society Meeting, STRASBOURG, FRANCE, JUN 16-20, 1997}, }