[institut] Reminder: Center for Solid State Physics and New Materials Seminar: Gheorghe Lucian Pascut, 27. 03. 2025. at 12:20h

[Nenad Lazarevic]

Dear colleagues,

You are kindly invited to the Center for Solid State Physics and New
Materials seminar, which will be held on Thursday, 27. 03. 2025. at
12:20, in the "Zvonko Marić" lecture hall of the Institute of Physics
Belgrade.The talk entitled

Predictive power of the embedded dynamical mean field theory (eDMFT) for
the electronic-structural interply in correlated materials

will be given by Dr. Gheorghe Lucian Pascut (MANSiD Research Center and
Faculty of Forestry, Stefan Cel Mare University (USV), Suceava,
Romania). The abstract of the talk:

In this talk we will give an overview of the embedded dynamical mean
field theory (eDMFT) [1, 2] perspective on materials such as AMnO3 (A =
Bi and La) perovskites, CaFeO3, RNiO3 nickelates (R = La and Nd) and
RNiO2 nickelates (R = La and Nd) in order to show the capabilities of
the eDMFT method to describe site and orbital selective states. For
example, (1) in AMnO3 perovskites we are addressing the multiple
first-order transitions, in particular we will compute the complex
temperature-dependent electronic structural-interply and we are finding
the existence of novel electronic states where insulating, semimetallic
and metallic orbitals coexist. (2) in CaFeO3 we show that the high
oxidations states can also be explained by orbital selective states.  We
will also demonstrate de the predictive power of the eDMFT method for
both the electronic and structural properties [3]; (3) in RNiO3
nickelates we are describing the electronic-structural interply across a
metal to insulator transition (MIT) [4], in particular we will present
the predicted structural changes across the MIT, predicted models for
the magnetic ground states which differ from the magnetic models
proposed before, and we will also present a new interpretation of the
K-edge resonant X-ray scattering measurements; (4) in RNiO2 which are
part of the recently discovered superconductivity in hole doped
infinite-layer nickelates, we will present the theoretically proposed
temperature-correlation phase diagram for the LaNiO2 prototype compound,
and we show Fermi liquid (FL) versus non-FL and magnetic versus
non-magnetic Curie-Weiss behaviors [5].
In conclusion I will argue the eDMFT method can be used to understand
and quantitatively predict the electronic structural interply in complex
correlated materials at finite temperatures.

Part of this work was supported by a grant of the Romanian Ministry of
Education and Research, CNCS - UEFISCDI, project number
PN-III-P1-1.1-TE-2019-1767, within PNCDI III.

1) http://hauleweb.rutgers.edu/tutorials/
2) http://hauleweb.rutgers.edu/tutorials/Overview.html
3) K. Haule, G. L. Pascut, Scientific Reports 2017, 7, 10375.
4) G. L. Pascut, K. Haule, Phys. Rev. B 2023, 107, 045147.
5) G. L. Pascut et. al., Communications Physics 2023, 6, 45.

Best Regards,
Nenad Lazarevic

-- 
Center for Solid State Physics and New Materials,
Institute of Physics Belgrade
Pregrevica 118, 11080 Belgrade, Serbia
http://www.ipb.ac.rs/
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