Re: [Wien] True half métal and false half métal

[Fecher, Gerhard]

Please read and understand
C. Felser and G. H. Fecher (Eds.)
Spintronics : From Materials to Devices

in particular the chapters on Heusler compounds

ISBN 978-90-481-3831-9
ISBN 978-90-481-3832-6 (eBook)
DOI 10.1007/978-90-481-3832-6
Springer Dordrecht Heidelberg New York London

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."


Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden

Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von SEMEH NOUI 
[sameh.n...@gmail.com]
Gesendet: Montag, 14. August 2017 10:51
An: wien@zeus.theochem.tuwien.ac.at
Betreff: [Wien] True half métal and false half métal

Hello sir, I have a questions to ask you
1-I have a Heusler alloy when I calculated the band structure I find that the 
energetic gap exceeds or touches the conduction band of the fermi levels in 
(spin dn) direction
My question, is this compound is a half metal or metal
2-how I can distinguish a real half metal and false half metal
3-I have another compound when I applied the GGA approximation I did not find a 
gap at the level of fermi but I applied the MBJ (GGA) the gap appears
My question is what I consider that this compound is metal or half metal
I will wait for your reply

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Re: [Wien] True half métal and false half métal

[tran]

Some literature:
https://arxiv.org/pdf/1210.7738.pdf


On Monday 2017-08-14 10:51, SEMEH NOUI wrote:


Date: Mon, 14 Aug 2017 10:51:55
From: SEMEH NOUI <sameh.n...@gmail.com>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: wien@zeus.theochem.tuwien.ac.at
Subject: [Wien] True half métal and false half métal

Hello sir, I have a questions to ask you
1-I have a Heusler alloy when I calculated the band structure I find that the 
energetic gap exceeds or touches the conduction band of the fermi levels in 
(spin
dn) direction
My question, is this compound is a half metal or metal
2-how I can distinguish a real half metal and false half metal
3-I have another compound when I applied the GGA approximation I did not find a 
gap at the level of fermi but I applied the MBJ (GGA) the gap appears
My question is what I consider that this compound is metal or half metal
I will wait for your reply

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[Wien] True half métal and false half métal

[SEMEH NOUI]

Hello sir, I have a questions to ask you
1-I have a Heusler alloy when I calculated the band structure I find that
the energetic gap exceeds or touches the conduction band of the fermi
levels in (spin dn) direction
My question, is this compound is a half metal or metal
2-how I can distinguish a real half metal and false half metal
3-I have another compound when I applied the GGA approximation I did not
find a gap at the level of fermi but I applied the MBJ (GGA) the gap appears
My question is what I consider that this compound is metal or half metal
I will wait for your reply


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