[Wien] d-eg orbitals are not effected by applying Ueff

venkatesh chandragiri venkyphysicsiitm at gmail.com
Thu Jan 26 19:17:54 CET 2017


Dear Prof. Lyudmila Dobysheva

Thanks for your reply. There was a old paper on this alloy, which show
similar kind of results, ie. deep pseudo gap with finite states at Ef.
please see the link below

http://iopscience.iop.org/article/10.1088/0305-4608/12/2/009/meta

In this article they discussed the raise in resitivity using the Mott
theory of electron localization when electrons are captured by these states
around Ef, so called localised states.

However, I want to apply U for the Co-d states in order to explain the
raise in resistivity at low temperatures by creating artificial gap. But
although, I applied U= 5 eV on Co-d states, d-t2g states are only moved
well below the Fermi level while d-eg are not effected. This leads to
presence of finite states from d-eg at Ef.

please share any idea you have about this..

Can someone has any another comment on this..?

thanks

venkatesh
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