[Pw_forum] ambient bulk Indium's structure

[Eyvaz Isaev]

Dear Max,

--- ³¯ ¤ÖµØ <chen_shao_hua197 at yahoo.com.tw> wrote:
> I apologize for what I done.

OK, no problem, taking into your previous effort to
account.
 
> I had checked Ashcroft's textbook before.I thought
> it  is bct and book also record lattice constant > =
4.59A.

Experimental lattice parameters (according to
webelements.com) are a=b=3.2523A, c=4.9461A. 
So, this looks like "c".

> I use it and do relaxation.But too far from real  >
lattice constant( =3.22 A ,get from  internet
> later).I just do this till 3.5 A then quit.So I >
spent few  weeks to find other reason but never 
> doubt about  4.59A.  
 But this one is "a".

> This experience make me also doubt book's  record  >
"TET"  structure.
If you use 2 atoms in the unit cell, "tetragonal" is
correct without any doubts.

See papers of Simak et al. about In, you will find
them interesting for yourself, though they are done
using the FP-LMTO method.

Bests,
Eyvaz.
> 
> Sorry again.I should checked carefully before ask
> question.
> 
> max 
> 
> --- Eyvaz Isaev <eyvaz_isaev at yahoo.com> »¡¡G
> 
> > Dear Max,
> > 
> > Before submitting such a kind question please have
> a
> > look at textbooks, Handbooks, Internet. 
> > You will find lots of interesting information.
> > 
> > At ambient conditions In is in bct. 
> > 
> > Bests,
> > Eyvaz.
> > 
> > --- ³¯ ¤ÖµØ <chen_shao_hua197 at yahoo.com.tw> wrote:
> > 
> > > Dear forum's members,
> > > 
> > > I am not sure that ambient bulk Indium's
> structure
> > > is
> > > Tetragonal Primitive(st) or Tetragonal
> > > body-centered(bct).Could anyone know it ?
> > > 
> > > Best Regards
> > > max
> > > Physics Department,National Taiwan
> > University,Taiwan
> > > 
> > > 
> > > 
> > > 
> > > 
> > > 
> > >      
> > >
> >
>
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> > Prof. Eyvaz Isaev, 
> > Theoretical Physics Department, Moscow State
> > Institute of Steel & Alloys, Russia, and 
> > Condensed Matter Theory Group, Uppsala University,
> > Sweden Eyvaz.Isaev at fysik.uu.se,
> > eyvaz_isaev at yahoo.com
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Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, and 
Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com


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