11 papers
Ferromagnetism vs. Antiferromagnetism in Narrow-Band Systems: Competition Between Quantum Geometry and Band Dispersion
Haoyu Hu, Oskar Vafek, Kristjan Haule +1
Magnetism in narrow-band systems arises from the interplay between electronic correlations, quantum geometry, and band dispersion. In particular, both ferro and anti-ferro magnets…
Self-Consistent Coulomb Interactions from Constrained Dynamical Mean-Field Theory
Antik Sihi, Subhasish Mandal, Kristjan Haule
We develop a self-consistent first-principles framework for determining the screened Coulomb interaction strength (U) based on constrained dynamical mean-field theory (cDMFT). Unli…
Systematic dynamical mean-field theory study of 3d perovskite oxides with uniform Coulomb interactions
Antik Sihi, Caden Ginter, Kristjan Haule +1
Strongly correlated transition-metal perovskite oxides pose a fundamental challenge for electronic-structure theory and for large-scale, data-driven materials discovery. While DFT+…
The role of the apical oxygen in cuprate high-temperature superconductors
Samuel Vadnais, Rémi Duchesne, Kristjan Haule +3
Scanning tunneling microscopy measurements exploiting the natural superstructure modulation of the cuprate superconductor BiSrCaCuO (Bi-2212) have revealed a p…
Ab-initio superfluid weight and superconducting penetration depth
Kaja H. Hiorth, Martin Gutierrez-Amigo, Théo Cavignac +3
Machine learning and high-throughput screening approaches to superconductor discovery require physically meaningful descriptors that capture essential physics while remaining compu…
Relevance of long-range screening in Mott transition examined via a hydrogen lattice
Zi-Jian Lang, Sudeshna Sen, Pak Ki Henry Tsang +3
The Mott transition, a metal-insulator transition due to strong electronic interaction, is observed in many materials without an accompanying change of system symmetry. An importan…