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Weyl Ferroelectric Semimetal
Ronghan Li, Yuanfeng Xu, Jianggang He +7
The recent discoveries of ferroelectric metal and Weyl semimetal (WSM) have stimulated a natural question: whether these two exotic states of matter can coexist in a single materia…
Magnetic properties of bilayer SrIrO: role of epitaxial strain and oxygen vacancies
Bongjae Kim, Peitao Liu, Cesare Franchini
Using {\it ab initio} methods, we investigate the modification of the magnetic properties of the member of the strontium iridates Ruddlesden-Popper series SrIrO…
Room temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab-initio molecular dynamics perspective
Jonathan Lahnsteiner, Georg Kresse, Abhinav Kumar +3
The high efficiency of lead organo-metal-halide perovskite solar cells has raised many questions about the role of the methylammonium (MA) molecules in the Pb-I framework. Experime…
Electron and hole doping in the relativistic Mott insulator SrIrO: a first-principles study using band unfolding technique
Peitao Liu, Michele Reticcioli, Bongjae Kim +5
We study the effects of dilute La and Rh doping on the electronic structure of the relativistic Mott insulator SrIrO using fully relativistic and magnetically non-collinear…
Lifshitz transition driven by spin fluctuations and spin-orbit renormalization in NaOsO
Bongjae Kim, Peitao Liu, Zeynep Ergönenc +3
In systems where electrons form both dispersive bands and small local spins, we show that changes of the spin configuration can tune the bands through a Lifshitz transition, result…