[Pw_forum] (no subject)

[mohnish pandey]

There have been lot of studies on this system. I guess the structure is
stable in certain range of strain. I suggest you do the calculations for a
range of lattice constant, may be you will get the optimum one at which
your structure will be stable. Below are the few references if you want to
take a look.

Phys. Rev. B 76, 020102(R) (2007)Appl. Phys. Lett. 87, 052903 (2005);
http://dx.doi.org/10.1063/1.2006216<http://link.aip.org/link/doi/10.1063/1.2006216>Appl.
Phys. Lett. 91, 112914 (2007);
http://dx.doi.org/10.1063/1.2785121<http://link.aip.org/link/doi/10.1063/1.2785121>

On Mon, Mar 18, 2013 at 8:42 AM, shruti shukla
<shruti_12912 at rediffmail.com>wrote:

> Dear users,
>
> I am making an artificial superlattice (BaTiO3/SrTiO3). The total energy
> of superlattice is greater than the sum of the total energies of its two
> component lattices. Should I proceed with my calculations or not?
>
> Shruti
>
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-- 
Regards,
MOHNISH,
-----------------------------------------------------------------
Mohnish Pandey,
PhD Student,
Center for Atomic Scale Materials Design,
Department of Physics,
Technical University of Denmark
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