Electronic correlations and superconducting instability in under high pressure
F Lechermann, J Gondolf, S Bötzel, IM Eremin - Physical Review B, 2023 - APS
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 doping is compared. Key differences are elucidated from …
stoichiometry and with finite hole doping 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 doping is revealed. We investigate the correlated electronic structure of NdNiO 2 at …
and with doping is revealed. We investigate the correlated electronic structure of NdNiO 2 at …
[HTML][HTML] 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 …
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 …
Doping-dependent character and possible magnetic ordering 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 doping. Distinct many-body behavior …
pecularities in the normal-state phase diagram with doping. Distinct many-body behavior …
Structure of the high-entropy alloy AlxCrFeCoNi: fcc versus bcc
M Ogura, T Fukushima, R Zeller… - Journal of Alloys and …, 2017 - Elsevier
The effect of Al on the crystal structures of the high-entropy alloy Al x CrFeCoNi is discussed
using first-principles electronic structure calculations. When the atomic configuration is …
using first-principles electronic structure calculations. When the atomic configuration is …
Electronic instability, layer selectivity, and Fermi arcs in
F Lechermann, S Bötzel, IM Eremin - Physical Review Materials, 2024 - APS
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 …
[HTML][HTML] Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints
Forming metallurgical phases has a critical impact on the performance of dissimilar
materials joints. Here, we shed light on the forming mechanism of equilibrium and non …
materials joints. Here, we shed light on the forming mechanism of equilibrium and non …