相关论文: Correlation effects in pyrochlore iridate thin fil…
We theoretically study a multi-band Hubbard model of pyrochlore oxides of the form A$_2$B$_2$O$_7$, where B is a heavy transition metal ion with strong spin-orbit coupling, in a thin film geometry orientated along the [111] direction. Along…
Topological phases have attracted much interest in recent years. While there are a number of three-dimensional materials exhibiting topological properties, there are relatively few two-dimensional examples aside from the well-known quantum…
We construct a model for interacting electrons with strong spin orbit coupling in the pyrochlore iridates. We establish the importance of the direct hopping process between the Ir atoms and use the relative strength of the direct and…
The recent discovery of ambient-pressure superconductivity in thin-film bilayer nickelates opens new possibilities for investigating electronic structures in this new class of high-transition temperature $T_C$ superconductors. Here, we…
Topological phases of quantum matter defy characterization by conventional order parameters but can exhibit quantized electro-magnetic response and/or protected surface states. We examine such phenomena in a model for three-dimensional…
We address the concomitant metal-insulator transition (MIT) and antiferromagnetic ordering in the novel pyrochlore iridate Eu2Ir2O7 by combining x-ray absorption spectroscopy, x-ray and neutron diffractions and density functional theory…
Recent theory and experiment have revealed that strong spin-orbit coupling can have dramatic qualitative effects on the band structure of weakly interacting solids. Indeed, it leads to a distinct phase of matter, the topological band…
In 5d transition metal oxides such as the iridates, novel properties arise from the interplay of electron correlations and spin-orbit interactions. We investigate the electronic structure of the pyrochlore iridates, (such as…
We study an extended Hubbard model with the nearest-neighbor Coulomb interaction on the pyrochlore lattice at half filling. An interaction-driven insulating phase with nontrivial Z_2 invariants emerges at the Hartree-Fock mean-field level…
Emergence of novel quantum ground states in correlated electron systems with strong spin-orbit coupling has been a recent subject of intensive studies. While it has been realized that spin-orbit coupling can provide non-trivial band…
We perform combined density functional and dynamical mean-field calculations to study the pyrochlore iridates Lu$_2$Ir$_2$O$_7$, Y$_2$Ir$_2$O$_7$ and Eu$_2$Ir$_2$O$_7$. Both single-site and cluster dynamical mean-field calculations are…
The concept of electronic correlations plays an important role in modern condensed matter physics. It refers to interaction effects which cannot be explained within a static mean-field picture as provided by Hartree-Fock theory. Electronic…
We investigate the role of long-range Coulomb interactions in $M$-valley moir\'es using the self-consistent Hartree-Fock approximation. This platform was recently proposed [Nature 643, 376 (2025) and arXiv:2411.18828 (2024)] as a new class…
Combining density functional theory (DFT) and embedded dynamical mean-field theory (DMFT) methods, we study the metal-insulator transition in $R_2$Ir$_2$O$_7$ ($R$=Y, Eu, Sm, Nd, Pr, and Bi) and the topological nature of the insulating…
We investigate in detail the $\nu=+1$ displacement-field-tuned interacting phase diagram of $L=3,4,5,6,7$ layer rhombohedral graphene aligned to hBN (R$L$G/hBN). Our calculations account for the 3D nature of the Coulomb interaction, the…
Twisted bilayer transition metal dichalcogenides have emerged as important model systems for the investigation of correlated electron physics because their interaction strength, carrier concentration, band structure, and inversion symmetry…
We theoretically study the magnetic properties of pyrochlore iridate bilayer and trilayer thin films grown along the $[111]$ direction using a strong coupling approach. We find the ground state magnetic configurations on a mean field level…
We present a comprehensive investigation of the electrical and thermal conductivity of iron under high pressures at ambient temperature, employing the real-time formulation of time-dependent density functional theory (RT-TDDFT).…
Two quintessential ingredients governing the topological invariant of a system are the dimensionality and the symmetry of the system. Due to the recent development of thin film and artificial superstructure growth technique, it is possible…
We discuss the role of dynamical many-electron effects in the physics of iron and iron-rich solid alloys under applied pressure on the basis of recent ab initio studies employing the dynamical mean-field theory (DMFT). Electronic…