[Wien] True half métal and false half métal

[tran at theochem.tuwien.ac.at]

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.noui at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at 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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