[Wien] Heusler alloys

[Sherif Yehia]

Thank you again for the very clear cut answer
 Dr's  Fecher and   Cottenier 

  That  very kind of both of you 
  I will definitely read more papers
  
  Please accept my regards  and best wishes


--- Gerhard Fecher <fecher at uni-mainz.de> wrote:

> The number of valence electrons is
> found from every periodic table:
> 
> 2 times 9 for Co = 18  (2 x 3s, 7 x 3d)
> 1 time  4 for Ti =  4  (2 x 3s, 2 x 3d)
> 1 time  3 for Al =  3  (2 x 2s, 1 x 1p)
> =====================
> Co2TiAl      sum = 25
> 
> The distribution of the s, p, d valence electrons at
> the atoms will be different in the solid state,
> however,
> this does not change the overall number of valnece
> electrons in the primitive cell,
> as far as there is not an electron-eater build in !
> 
> or similar
> 
> 2 times 9 for Co = 18
> 1 time  4 for Ti =  4
> 1 time  4 for Sn =  4
> =====================
> Co2TiSn      sum = 26
> 
> In case read my (or others) papers about Heusler
> compounds that you find on the webservers of Phys
> Rev B or J. Phys.
> 
> Ciao
> Gerhard
> 
> -----Ursprüngliche Nachricht-----
> Von: wien-bounces at zeus.theochem.tuwien.ac.at im
> Auftrag von Sherif Yehia
> Gesendet: Do 07.09.2006 10:43
> An: A Mailing list for WIEN2k users
> Betreff: Re: [Wien] Heusler alloys
>  
>    Thank you very much Dr's  Fecher and   Cottenier 
> 
>   I am not questting if it is 25 or 26 for sure
> that is right Number of electrons is different
> 
>    I need to know how can it be calculated
>  Please forgive my not knowing how it is 25 or 26 
>  or even for other Heusler alloys
> 
>   Thank you again
> 
> <Stefaan.Cottenier at fys.kuleuven.be> wrote:
> 
> > 
> > >  How can Zt  for Co2TiAl = 25 ?
> > >    while for     Co2TiSn = 26 
> > >
> > >  
> > >
> > Sn is one column more to the right in the periodic
> > table, and hence has 
> > one valence electron more than Al (but its total
> > number of electrons is 
> > of course much larger than for Al).
> > 
> > Stefaan
> > 
> > 
> > Disclaimer:
> > http://www.kuleuven.be/cwis/email_disclaimer.htm
> > 
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> >
>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > 
> 
> 
> __________________________________________________
> Do You Yahoo!?
> Tired of spam?  Yahoo! Mail has the best spam
> protection around 
> http://mail.yahoo.com 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
> > _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 


__________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com