[Pw_forum] ambient bulk Indium's structure

[陳 少華]

Dear  Eyvaz,

Thank you very much for providing the useful website
and papers information.

max
--- Eyvaz Isaev <eyvaz_isaev at yahoo.com> 說：

> Dear Max,
> 
> --- 陳 少華 <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> 說：
> > 
> > > 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.
> > > 
> > > --- 陳 少華 <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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