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Electronic correlations and superconducting instability in under high pressure
Motivated by the report of superconductivity in bilayer La 3 Ni 2 O 7 at high pressure, we
examine the interacting electrons in this system. First-principles many-body theory is utilized …
examine the interacting electrons in this system. First-principles many-body theory is utilized …
Iron-based binary ferromagnets for transverse thermoelectric conversion
Thermoelectric generation using the anomalous Nernst effect (ANE) has great potential for
application in energy harvesting technology because the transverse geometry of the Nernst …
application in energy harvesting technology because the transverse geometry of the Nernst …
Late transition metal oxides with infinite-layer structure: Nickelates versus cuprates
F Lechermann - Physical Review B, 2020 - APS
The correlated electronic structure of the infinite-layer compounds NdNiO 2 and SrCuO 2 at
stoichiometry and with finite hole do** is compared. Key differences are elucidated from …
stoichiometry and with finite hole do** is compared. Key differences are elucidated from …
Multiorbital Processes Rule the Normal State
F Lechermann - Physical Review X, 2020 - APS
The predominant Ni-multiorbital nature of infinite-layer neodynium nickelate at stoichiometry
and with do** is revealed. We investigate the correlated electronic structure of NdNiO 2 at …
and with do** is revealed. We investigate the correlated electronic structure of NdNiO 2 at …
Electronic instability, layer selectivity, and Fermi arcs in
Using advanced dynamical mean-field theory on a realistic level we study the normal-state
correlated electronic structure of the high-pressure superconductor La 3 Ni 2 O 7 and …
correlated electronic structure of the high-pressure superconductor La 3 Ni 2 O 7 and …
Effect of short-range ordering and grain boundary segregation on shear deformation of CoCrFeNi high-entropy alloys with Al addition
A method combining molecular dynamics (MD) and Monte Carlo (MC) simulation is used to
analyze the short-range ordering and grain boundary (GB) segregation in the bi-crystals of …
analyze the short-range ordering and grain boundary (GB) segregation in the bi-crystals of …
F Lechermann - Physical Review Materials, 2021 - APS
The novel nickelate superconductors of infinite-layer type feature challenging electronic
pecularities in the normal-state phase diagram with do**. Distinct many-body behavior …
pecularities in the normal-state phase diagram with do**. Distinct many-body behavior …
From basic properties to the Mott design of correlated delafossites
F Lechermann - npj Computational Materials, 2021 - nature.com
The natural-heterostructure concept realized in delafossites highlights these layered oxides.
While metallic, band-or Mott-insulating character may be associated with individual layers …
While metallic, band-or Mott-insulating character may be associated with individual layers …
Structure and magnetism in bcc-based iron-cobalt alloys
The ordering and magnetic properties of bcc-based iron-cobalt alloys have been
investigated as a function of the atomic composition. The different states of ordering in Fe-Co …
investigated as a function of the atomic composition. The different states of ordering in Fe-Co …