[Wien] question about tetra's choice of Emax

Lyudmila Dobysheva lyuka17 at mail.ru
Mon Nov 21 09:48:08 CET 2016


17.11.2016 16:47, pieper wrote:
> One might (correctly) expect Cu with 11 electrons for
> these bands to be a happy paramagnet: the spins of 10 e in the d-band
> compensate, and the exchange for the one in the 4s is too small to
> redistribute anything from there, 4s is spin balanced. Furthermore it
> costs too much energy to increase the 4s population above half full, the
> exchange gain in an unbalanced 4d is not sufficient.

I don't follow your discussion, but for the sake of accuracy, I want to 
comment that Cu atoms have magnetic moment in the Cu oxides.

Best regards
   Lyudmila Dobysheva
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