yes, mismatch strain due to mismatch of cell parameters of monolayer and substrate. So shrink and expand both of them separately to find needed stress
2016-03-14 13:59 GMT+04:00 Aaron <[email protected]>: > There will be some strain at the monolayer/substrate interface which you > have to energetically minimize. > > Regards, > Aaron > > > On 14/03/16 09:37, pooja pu wrote: > > i'll create vaccum...but how to put a monolayer on the substrate??????? > > On Mon, Mar 14, 2016 at 2:52 PM, Максим Арсентьев <[email protected]> > wrote: > >> add vacuum layer upwand the monolayer and substrate, so you can get this >> calc >> >> 2016-03-14 11:25 GMT+04:00 pooja pu < <[email protected]> >> [email protected]>: >> >>> hello gud people, >>> >>> with regards >>> >>> To all siesta users noble metal monolayers are not stable in free >>> standing but are stable with substrates,..... >>> so, my querry is that how can we do monolayer with substrate >>> calculation....how to simulate this system.... >>> plz send if any example file... >>> >>> Thanks for all helps >>> >>> pooja >>> >> >> >> >> -- >> Best wishes, >> Maxim Arsent'ev, Ph.D. (Chemistry) >> Laboratory of research of nanostructures >> Institute of Silicate Chemistry of RAS >> > > > -- > PhD student > B321/28 > Aaron Thong > > -- Best wishes, Maxim Arsent'ev, Ph.D. (Chemistry) Laboratory of research of nanostructures Institute of Silicate Chemistry of RAS
