this stress should be the same in monolayer and substrate with opposite sign
2016-03-14 14:23 GMT+04:00 Максим Арсентьев <[email protected]>: > 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 > -- Best wishes, Maxim Arsent'ev, Ph.D. (Chemistry) Laboratory of research of nanostructures Institute of Silicate Chemistry of RAS
