[Wien] Treating 4f states as core

[Ali Baghizhadeh]

Thank you very much Gavin. That would be of course of great help to simulate the real ground state of the material.
Bets regards
Ali
________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Gavin Abo <gsabo at crimson.ua.edu>
Sent: Thursday, April 9, 2020 7:25 PM
To: wien at zeus.theochem.tuwien.ac.at <wien at zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] Treating 4f states as core


You mention non-collinear spins, some links that might be of interest related to that:


http://susi.theochem.tuwien.ac.at/reg_user/ncm/

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07386.html

http://www.wien2k.at/events/ws2008/talks/Laskowski-SO-NCM.pdf

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10434.html

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16659.html

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17760.html

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16337.html


On 4/9/2020 11:56 AM, Ali Baghizhadeh wrote:
Thank you very much for your comments Prof. Laurence. Your paper is one of my references to do my set of calculations, and interprate my EELS data later on. Basically h-REFeO3 (RE: Lu, Yb, Sc ..) is AFM basal plane with non-collinear spins of Fe3+. Magnetism of Yb should contribute on c-axis weak FM component. and I wish to know if this is ground state of the system or not?
best regards
Ali
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200410/b33e44f5/attachment.html>