Hi, How do I write on the forum, please assist me.
Warm regards N.Malaza On Thu, Jul 16, 2015 at 5:23 PM, chaitanya varma <[email protected]> wrote: > I am presently working on Ni-Zn ferrite doped with divalent and trivalent > ions > i did work by synthesizing samples using sol-gel methods and did other > experimental work. > now i am interested in giving explanation by doing DFT work. > > in this regard i want to how can two or more unit cells be selected > (given) to do calculation > > one unit contains 56 atoms [8* (NiZn)Fe2O4- molecules- spinel phase] > if i doped like 0.04 Co2+ in place of Ni2+ > i may need more unit cells to know the effect of Cobalt. since even small > amount of cobalt is enough to change magnetic anisotropy drastically. > > Chaitanya Varma M > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
