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Quantum lattice dynamics and their importance in ternary superhydride clathrates
Roman Lucrezi, Eva Kogler, Simone Di Cataldo +3
The quantum nature of the hydrogen lattice in superconducting hydrides can have crucial effects on the material's properties. Taking a detailed look at the dynamic stability of the…
Decoupling the effects of geometry and nature of strain in LaMnO: Interplay of dynamic correlations and uniaxial strain driving magnetic phase transitions
Florian P. Lindner, Markus Aichhorn, Hrishit Banerjee
Recent years have seen tremendous progress in experimental techniques to create uniaxial strain. Motivated by these advances we investigate the effect of uniaxial strain on LaMnO$_…
Non-local self energies in pyrochlore iridates from ab-initio TRILEX calculations, and their relevance for the Weyl semimetal phase
Johannes Graspeuntner, Markus Richter, Markus Aichhorn
Motivated by recent experiments and computational results on pyrochlore iridates, we compare single-particle properties of Y2Ir2O7 obtained from single-site dynamical mean-field ca…
Small moments without long-range magnetic ordering in the zero-temperature ground state of the double-perovskite iridate BaYIrO
Hermann Schnait, Daniel Bauernfeind, Tanusri Saha-Dasgupta +1
The spin-orbit coupled double perovskite iridate BaYIrO with occupancy of Ir is considered as a candidate material for a non-magnetic ground state. The issue of…