[Pw_forum] Raman for graphene

plgong plgong at theory.issp.ac.cn
Mon Oct 27 01:43:00 CET 2014


Dear professor,
     Thanks for your quick reply. I will read papers you provided and understand further development
of Raman based on theoretical calculation. Also, I hope new methods can be added to solve the hard
simulation to this kind of important tools with the help of pwscf enthusiast.

 Best wishes
 PL Gong




> -----原始邮件-----
> 发件人: "Nicola Marzari" <nicola.marzari at epfl.ch>
> 发送时间: 2014年10月26日 星期日
> 收件人: "Ari Paavo Seitsonen" <Ari.P.Seitsonen at iki.fi>, "PWSCF Forum" <pw_forum at pwscf.org>
> 抄送: 
> 主题: Re: [Pw_forum] Raman for graphene
> 
> On 25/10/2014 23:16, Ari P Seitsonen wrote:
> >
> > Dear PL Gong,
> >
> >    Sometimes the things are not that simple to be programmed and
> > provided to others - please try to learn about the difference between
> > non-resonant and resonant Raman.
> >
> >    You can also have a look at the papers of Michele Lazzeri and
> > Francesco Mauri,
> 
> 
> E.g these for the temperature dependence of the Raman modes
> 
> http://journals.aps.org/prb/pdf/10.1103/PhysRevB.68.220509
> http://journals.aps.org/prl/pdf/10.1103/PhysRevLett.99.176802
> http://journals.aps.org/prb/pdf/10.1103/PhysRevB.86.121404
> 
> Not sure what is published re the shapes - a few groups are/were
> working on this.
> 
> 				nicola
> 
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
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