[Wien] Heusler alloys

[Gerhard Fecher]

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
> 
> 
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