A.F. Vassilyeva; R.I.Eglitis; E.A.Kotomin; A.K.Dauletbekova
(2012-09-21)
We resenttheresultsofcalculationsofsurfacerelaxations,rumplings,andchargedistributionforthe MgF2 (0 01)and(011)surfacesusing ab initio code Crystal-2003andthehybridexchange-correlation B3PW functional.Thesetwoneutraland ...