Density functional study of non-polar surfaces of wurtzite CdSe

A density functional method is employed to study reconstructions of wurtzite CdSe(101¯0) and (112¯0) non-polar surfaces. The reconstruction parameters were found to be in good agreement with experiment. The work function and surface energies of the two surfaces was also calculated. The (101¯0) surface was found to have a considerably larger reconstruction energy.