[Wien] how to find Stoner parameter using wien2k

Seyed Javad Hashemifar hashemifar at cc.iut.ac.ir
Wed Jul 6 20:44:07 CEST 2011


I have no experience on calculation of stoner parameter and interesting to
learn it. However, by doing a simple spin polarized calculations with
nonzero and parallel initial moments on your system, you may easily find
whether your system prefers ferromagnetism or not. The initial magnetic
moments are controlled in case.inst file.
SJ Hashemifar
======================================
Seyed Javad  Hashemifar
Physics Department, Isfahan University of Technology
84156-83111 Isfahan, Iran
Tel: +98 311 391 2375     Fax:+98 311 3912376
Email:  hashemifar at cc.iut.ac.ir
Homepage:  http://hashemifar.iut.ac.ir
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2011/7/6 Shamik Chakrabarti <shamikiitkgp at gmail.com>

>
> Dear wien2k users,
>
> According to the Stoner band theory of magnetism, one can able to predict
> the magnetic ground state of the material as it is paramagnetic or
> ferromagnetic using product of the non magnetic density of states around the
> Fermi level (N(E)) and the Stoner parameter (I). As given in some of the
> literature, the Stoner parameter  can be described as the exchange integral
> and it could be found using LSDA and LMTO methods. see the fallowing
> literature...
>
> 1. http://prb.aps.org/pdf/PRB/v16/i1/p255_1
>
> 2. http://jap.aip.org/resource/1/japiau/v89/i11/p6889_s1
>
> We are doing our calculations in Wein2K package using the GGA approximation
> and we want to know how the stoner parameter could be found according to the
> my calculations. As non magnetic calculations gives the total density of
> states at around the Fermi level, it is very helpful for us to predict the
> material is magnetic or not using the Stoner parameter. therefore, please
> suggest us how to find the Stoner parameter using wein2k package.
>  --
> Shamik Chakrabarti
> Research Scholar
> Dept. of Physics & Meteorology
> Material Processing & Solid State Ionics Lab
> IIT Kharagpur
> Kharagpur 721302
> INDIA
>
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>
>
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