[Wien] to all TELNES users

[L. D. Marks]

On Mon, 30 Aug 2004, Philippe Moreau wrote:

> L. D. Marks wrote:
>
> >I have not used the TELNES code (yet). My biggest concerns (wish list)
> >would be:
> >a) Addition of bloch-wave code to correctly include dynamical diffraction
> >effects; even a projected potential approximation might be useful.
> >b) Are the directional selection rules, including breakdown of the dipole
> >approximation correctly included?
> >
> >
>
> yes i think so
>
> >c) Low-loss (plasmon/dielectric function) code.
> >
> >
> >
> so far i use the optic code from WIEN to get the EELS spectra with some
> success. Still, with the incoming developpement in the band gap region
> (see abstracts in the just finished EMC 2004 meeting in Antwerp,
> Belgium), seems to me interesting  to implement q dependant dielectric
> functions (indirect band gaps ?) as well as to go beyond the independant
> particle RPA, namely at least include local field effects (see PRL from
> Vast et al on TiO2 88 (2002) 037601)
	Q-dependent is important, since this is a powerful technique (has
been known to be such as early as John Silcox's work).
>
> extra bit : i have made a programme (!?) (from Wessjohann papers in the
> 70's) that uses optic dielectric functions to get the EELS low loss
> spectrum of uniaxial materials, including surface plasmon effects
> (relativistic effects included, i.e. Cherenkov radiations...., see
> Moreau and Cheynet, Ultramicroscopy 94 (2003) 293). I am quite prepared
> to give and discuss what i have done if it is of any use ? Some
> programming surely necessary...
	Definitely. Aloof spectroscopy without including the relativistic
effects is not good.
>
> best regards
>
> Philippe Moreau
>
> >>Dear colleagues,
> >>
> >>we've all been using the TELNES program for many years now, and I feel the time is right to have an update, fixing a few little things and including new features.  I would like to do this in the near future, in correspondence with C. Hebert, J. Luitz and P. Schattschneider of the Vienna group that originally contributed the program.
> >>
> >>I'd like to ask for input from all of you.  Do  you have any ideas - things that annoy you in the present version of the program, features you like to see included (both of technical and physical nature), or, even better, features you have implemented yourself and would like to share with the world?  We have quite a few ideas ourselves, but maybe you have something we haven't thought of.
> >>
> >>
> >>Though there tends to be little TELNES related communication on the ML, there are definitely many users, and it would be very good to receive some feedback from many of you.  Perhaps it's best if you send your comments to me directly at kevin.jorissen at ua.ac.be  (I read the ML though and will certainly find your suggestions there as well).
> >>
> >>Thanks for your help,
> >>
> >>Kevin.
> >>
> >>
> >>
> >
> >-----------------------------------------------
> >Laurence Marks
> >Department of Materials Science and Engineering
> >MSE Rm 2036 Cook Hall
> >2225 N Campus Drive
> >Northwestern University
> >Evanston, IL 60201, USA
> >Tel: (847) 491-3996 Fax: (847) 491-7820
> >mailto:L-marks at northwestern.edu
> >http://www.numis.northwestern.edu
> >-----------------------------------------------
> >
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> >
> >
>
>
> --
> Dr. Philippe MOREAU
>
> Maître de Conférences à l'université de Nantes
>
> Institut des Matériaux Jean Rouxel
> Laboratoire de Chimie des Solides
> 2, rue de la Houssinière
> B.P. 32229
> 44322 NANTES Cedex 3
> FRANCE
>
> Tel. +33 (0)2 40 37 64 14
> Fax +33 (0)2 40 37 39 95
> http://www.cnrs-imn.fr
>
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>

-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:L-marks at northwestern.edu
http://www.numis.northwestern.edu
-----------------------------------------------