Related papers: Electronic correlations and universal long-range s…
We report high-resolution scanning tunneling microscopy (STM) study of nano-sized Pb islands grown on SrTiO3, where three distinct types of gaps with different energy scales are revealed. At low temperature, an enlarged superconducting gap…
Kagome lattice has been actively studied for the possible realization of frustration-induced two-dimensional flat bands and a number of correlation-induced phases. Currently, the search for kagome systems with a nearly dispersionless flat…
A multi-orbital model for a CoO_2-layer in Na_xCoO_2 is derived. In this model the kinetic energy for the degenerate t_2g-orbitals is given by indirect hopping over oxygen, leading naturally to the concept of four inter-penetrating Kagome…
To obtain an effective many-body model of graphene and related materials from first principles we calculate the partially screened frequency dependent Coulomb interaction. In graphene, the effective on-site (Hubbard) interaction is U_00 =…
In this paper I give a detailed account of an ab initio methodology for describing strong electronic correlations in nanoscale devices hosting transition metal atoms with open $d$- or $f$-shells. The method combines Kohn-Sham Density…
Interplay between changes of energy levels and tunneling amplitudes caused by localized electrons on-site Coulomb interaction depending on non-equilibrium electron filling numbers is analyzed. Specific features of local tunneling…
A comprehensive investigation of the electronic and magnetic properties of NaOsO3 has been made using the first principle calculations, in order to understand the importance of Coulomb interaction, spin-orbit coupling and magnetic order in…
The electronic properties of single-layer antimony are studied by a combination of first-principles and tight-binding methods. The band structure obtained from relativistic density functional theory is used to derive an analytic…
Machine-learning electronic Hamiltonians achieve orders-of-magnitude speedups over density-functional theory, yet current models omit long-range Coulomb interactions that govern physics in polar crystals and heterostructures. We derive…
Quantum materials with tunable correlated and/or topological electronic states, such as the electronic Kagome lattice, provide an ideal platform to study the exotic quantum properties. However, the real-space investigations on the…
We study theoretically the effects of long-range and on-site Coulomb interactions on the topological phases and transport properties of spin-orbit-coupled quasi-one-dimensional quantum wires imposed on an s-wave superconductor. The…
Altermagnets, which encompass a broad landscape of materials, are compensated collinear magnetic phases in which the antiparallel magnetic moments are related by a crystalline rotation. Here, we argue that collinear altermagnetic-like…
Ce$_{3}$Al is an archetypal heavy-fermion compound with multiple crystalline phases. Here, we try to investigate its electronic structures in the hexagonal phase ($\alpha$-Ce$_{3}$Al) and cubic phase ($\beta$-Ce$_{3}$Al) by means of a…
The effects of Coulomb interactions on the electronic properties of bilayer graphene nanoribbons (BGNs) covered by a gate electrode are studied theoretically. The electron density distribution and the potential profile are calculated…
The metallic kagome compound Sc$_3$Mn$_3$Al$_7$Si$_5$ has attracted attention as a candidate platform where geometric frustration and itinerant electrons may cooperate to stabilize a quantum-disordered magnetic ground state. Here, we…
The ability to control the size of the electronic bandgap is an integral part of solid-state technology. Atomically-thin two-dimensional crystals offer a new approach for tuning the energies of the electronic states based on the interplay…
There have been extensive recent developments on kagome metals, such as T$_m$X$_n$ (T= Fe, Co and X= Sn, Ge) and $A$V$_3$Sb$_5$ ($A=$ Cs, K, Rb). An emerging issue is the nature of correlated phases when topologically \textit{non-trivial}…
We compute from first principles the effective interaction parameters appropriate for a low-energy description of the rare-earth nickelate LuNiO$_{3}$ involving the partially occupied $e_g$ states only. The calculation uses the constrained…
Hot, dense plasmas exhibit screened Coulomb interactions, resulting from the collective effects of correlated many-particle interactions. In the lowest particle correlation order (pair-wise correlations), the interaction between charged…
The electronic band structures, density of states plots and magnetic moments of Fe$_{2 }$MnSi, Fe$_{2 }$MnAl, and Co$_{2 }$MnGe are studied by using the first principles calculations. The FM solutions using LSDA without \textit{U} show the…