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24 papers · 2 filters
Evaluating second-order phase transitions with Diagrammatic Monte Carlo: Néel Transition in the doped three-dimensional Hubbard model
Connor Lenihan, Aaram J. Kim, Fedor Šimkovic IV. +1
Diagrammatic Monte Carlo -- the technique for numerically exact summation of all Feynman diagrams to high orders -- offers a unique unbiased probe of continuous phase transitions.…
Electronic structure of rare-earth mononitrides: quasiatomic excitations and semiconducting bands
Anna Galler, Leonid V. Pourovskii
The electronic structure of the rare-earth mononitrides LnN (where Ln=rare-earth), which are promising materials for future spintronics applications, is difficult to resolve experi…
Unveiling the underlying interactions in Ta2NiSe5 from photo-induced lifetime change
Denis Golez, Sydney K. Y. Dufresne, Min-Jae Kim +14
We present a generic procedure for quantifying the interplay of electronic and lattice degrees of freedom in photo-doped insulators through a comparative analysis of theoretical ma…
Dynamical Mean Field Theory of Moiré Bilayer Transition Metal Dichalcogenides: Phase Diagram, Resistivity, and Quantum Criticality
Jiawei Zang, Jie Wang, Jennifer Cano +2
We present a comprehensive dynamical mean field study of the triangular lattice moiré Hubbard model, which is believed to represent the physics of moiré bilayer transition metal di…
Charge self-consistent electronic structure calculations with dynamical mean-field theory using Quantum ESPRESSO, Wannier90 and TRIQS
Sophie Beck, Alexander Hampel, Olivier Parcollet +2
We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combined with density functional theory (DFT) for electronic structure calculations o…
Inexorable Edge Kondo Breakdown in Topological Kondo Insulators
Zhihui Luo, Michel Ferrero, Dao-Xin Yao +1
Kondo breakdown is one of the most intriguing problems in strongly correlated electron systems, as it is rooted in many anomalous electron behaviors found in heavy-fermion material…