[Wien] how to find Stoner parameter using wien2k
Shamik Chakrabarti
shamikiitkgp at gmail.com
Wed Jul 6 20:30:41 CEST 2011
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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