Related papers: Correlation effects in pyrochlore iridate thin fil…
Topological quantum materials that show strongly correlated electrons as well as topological order, for which spin-orbit coupling is a key ingredient, exhibit novel states of matter. One such example is the family of pyrochlore iridates,…
We investigate the correlation-induced Mott, magnetic, and topological phase transitions in artificial (111) bilayers of perovskite transition-metal oxides LaAuO$_3$ and SrIrO$_3$ for which the previous density-functional theory…
Topological insulators are found in materials that have elements with strong spin orbit interaction. However, electron Coulomb repulsion also potentially generates the topological insulators as well as Chern insulators by the mechanism of…
Strong electronic interactions and spin orbit coupling can be conducive for realizing novel broken symmetry phases supporting quasiparticles with nontrivial band topology. 227 pyrochlore iridates provide a suitable material platform for…
Motivated by the discovery of high-temperature superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$ under pressure, we investigate the ground-state phase diagram and correlation effects using determinant quantum Monte Carlo simulations…
Interactions among electrons and the topology of their energy bands can create novel quantum phases of matter. Most topological electronic phases appear in systems with weak electron-electron interactions. The instances where topological…
Electronic systems with quadratic band touchings, commonly found in two- and three-dimensional materials such as Bernal-stacked bilayer graphene, kagome metals, HgTe, and pyrochlore iridates, have attracted significant interest concerning…
The role of electronic correlations in Condensed Matter is at the heart of various important systems, like magnetic materials, superconductors, topological materials, optical lattices, etc. Electronic correlations are those which change the…
The influence of uncorrelated (nonmagnetic) overlayers on the magnetic properties of thin itinerant-electron films is investigated within the single-band Hubbard model. The Coulomb correlation between the electrons in the ferromagnetic…
We discuss phenomena arising from the combined influence of electron correlation and spin-orbit coupling, with an emphasis on emergent quantum phases and transitions in heavy transition metal compounds with 4d and 5d elements. A common…
We conduct a comprehensive \textit{ab initio} investigation of electron-electron interactions within the pyrochlore structures of R$_2$Ru$_2$O$_7$, R$_2$Ir$_2$O$_7$, Ca$_2$Ru$_2$O$_7$, and Cd$_2$Ru$_2$O$_7$, where R denotes a rare-earth…
We develop a procedure to determine the portion of exact Hartree-Fock exchange interaction contained in a hybrid density functional to treat the range of electronic correlation governing the physics of a system as a function of a…
The effects of electron-electron correlations on the low-energy electronic structure and their relationship with unconventional superconductivity are central aspects in the research on the iron-based pnictide superconductors. Here we use…
We have explored the critical metal-insulator phenomena for pyrochlore-type $R_2$Ir$_2$O$_7$, in which electron correlation strength and magnetic configuration are systematically controlled by varying the average rare-earth ionic radius…
Rare-earth trihydrides ($R$H$_3$) exhibit intriguing coupled electronic and structural properties as a function of doping, hydrogen vacancies, and thermodynamic conditions. Theoretical studies of these materials typically rely on density…
In the search for topological phases in correlated electron systems, iridium-based pyrochlores A2Ir2O7 -- materials with 5d transition-metal ions -- provide fertile grounds. Several novel topological states have been predicted but the…
We present a computational approach for electronically correlated metallic surfaces and interfaces, which combines Density Functional and Dynamical Mean Field Theory using a multi-orbital perturbative solver for the many-body problem. Our…
The topological insulator and strong electronic correlation effect are two important subjects in the frontier studies of modern condensed matter physics. A topological insulator exhibits a unique pair of surface conduction bands with the…
Based on density functional theory (DFT) calculations, we predict that a monolayer of OsCl$_3$---a layered material whose interlayer coupling is weaker than in graphite---possesses a quantum anomalous Hall (QAH) insulating phase generated…
While pyrochlore iridate thin films are theoretically predicted to possess a variety of emergent topological properties, experimental verification of these predictions can be obstructed by the challenge in thin film growth. Here we report…