Related papers: `Interaction annealing' to determine effective qua…
Fluctuating-charge models are computationally efficient methods of treating polarization and charge-transfer phenomena in molecular mechanics and classical molecular dynamics simulations. They are also theoretically appealing as they are…
Heavy fermion materials naturally combine strong spin-orbit interactions and electronic correlations. When there is precisely one conduction electron per impurity spin, the coherent heavy fermion state is insulating. This Kondo insulating…
Correlated materials are extremely sensitive to external stimuli, such as temperature or pressure. Describing the electronic properties of such systems often requires applying many-body techniques to effective low energy problems in the…
The electronic states and superconductivity in iron pnictides are studied on the basis of the 16 band $d$-$p$ model which includes both the onsite Coulomb interaction between Fe $d$ electrons and the intersite one between Fe $d$ and…
Understanding the interplay of band topology, strong electron correlation, and magnetic order is the fundamental core bottleneck for realizing robust high-temperature quantum anomalous Hall effect (QAHE). Conventional two-band Anderson…
Adsorbed transition metal atoms can have partially filled $d$- or $f$-shells due to strong on-site Coulomb interaction. Capturing all effects originating from electron correlation in such strongly correlated systems is a challenge for…
Classical and quantum annealing is discussed for a kinetically constrained chain of $N$ non-interacting asymmetric double wells, represented by Ising spins in a longitudinal field $h$. It is shown that in certain cases, where the kinetic…
We consider a magnetic impurity which interacts by hybridization with a system of weakly correlated electrons and determine the energy of the ground state by means of an 1/N_f expansion. The correlations among the conduction electrons are…
The variational quantum eigensolver has been proposed as a low-depth quantum circuit that can be employed to examine strongly correlated systems on today's noisy intermediate-scale quantum computers. We examine details associated with the…
The structural and electronic properties of cubic GaN are studied within the local density approximation by the full-potential linear muffin-tin orbitals method. The Ga $3d$ electrons are treated as band states, and no shape approximation…
Reduced dimensionality and strong electronic correlations, which are among the most important ingredients for cupratelike high-Tc superconductivity, characterize also the physics of nickelate-based heterostructures. Starting from the…
We report an unconventional temperature dependence of the resistivity in several strongly correlated systems approaching a localized to itinerant electronic transition from the itinerant electron side. The observed resistivity, proportioanl…
The surface of three-dimensional materials provides an ideal and versatile platform to explore quantum-confined physics. Here, we systematically investigate the electronic structure of Na-intercalated CrTe2, a van der Waals antiferromagnet,…
Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
The discovery of the quantum spin Hall effect and topological insulators more than a decade ago has revolutionized modern condensed matter physics. Today, the field of topological states of matter is one of the most active and fruitful…
Ignited by the discovery of the metal-insulator transition, the behaviour of low-disorder two-dimensional (2D) electron systems is currently the focus of a great deal of attention. In the strongly-interacting limit, electrons are expected…
Precise algorithms capable of providing controlled solutions in the presence of strong interactions are transforming the landscape of quantum many-body physics. Particularly exciting breakthroughs are enabling the computation of non-zero…
Results are reported for the $f$-electron intermetallic CeAuAl$_4$Ge$_2$, where the atomic arrangement of the cerium ions creates the conditions for geometric frustration. Despite this, magnetic susceptibility measurements reveal that the…
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…