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

[Jelena Pesic]

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 
12:00, 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,
Jelena Pesic




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Institute of Physics Belgrade
Pregrevica 118, 11080 Belgrade, Serbia
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